Geometry & MOs

Info

ID:	221809
PubChem CID:	85286165
Reduced:	NSiO7C34H63 (1)
Stoich.:	ABC7D34E63 (1)
Weight, g/mol:	626.253433
ΔH_f, kcal/mol:	-443.26
Dipole, Da:	3.93
IP(EA), eV:	-8.86(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[acetyl(prop-2-enyl)amino]-5-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-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

CC1C(CCC(N1C(=O)OCC=C)CCCC(COC(=O)C(C)(C)C)OC2CCCCO2)O[Si](C(C)C)(C(C)C)C(C)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

CC1C(CCC(N1C(=O)OCC=C)CCCC(COC(=O)C(C)(C)C)OC2CCCCO2)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):