Geometry & MOs

Info

ID:	85024
PubChem CID:	49871360
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	1022.650164
ΔH_f, kcal/mol:	14.26
Dipole, Da:	7.8
IP(EA), eV:	-9.58(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3-acetamido-5-amino-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

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

C1C[C@H](NC1)CN2C=C(N=N2)CON3C(=O)C4=CC=CC=C4C3=O

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

C1C[C@H](NC1)CN2C=C(N=N2)CON3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):