Geometry & MOs

Info

ID:	391970
PubChem CID:	135011502
Reduced:	SiO3C29H36 (1)
Stoich.:	AB3C29D36 (1)
Weight, g/mol:	799.256864
ΔH_f, kcal/mol:	-145.29
Dipole, Da:	0.6
IP(EA), eV:	-8.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,5S)-6-[[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-2-phenylsulfanyl-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(CO[C@@H]([C@@H]1O[Si@](C2=CC=CC=C2)(C(C)(C)C)OCC3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(CO[C@@H]([C@@H]1O[Si@](C2=CC=CC=C2)(C(C)(C)C)OCC3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):