Geometry & MOs

Info

ID:

215536

PubChem CID:

85084878

Reduced:

S3N12O12C41H60 (1)

Stoich.:

A3B12C12D41E60 (1)

Weight, g/mol:

1009.488462

ΔHf, kcal/mol:

-522.81

Dipole, Da:

9.95

IP(EA), eV:

 -8.37(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-acetamido-6-[2-(octadecanoylamino)-3-oxo-3-(tetradecylamino)propoxy]-3,4-disulfooxyoxan-2-yl]methyl hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CS)C(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCN=C(N)N)NC(=O)CCSSCCC(=O)O

DOS

IR

Vibrations