Geometry & MOs

Info

ID:

176621

PubChem CID:

76075209

Reduced:

NOSCl2C19H19 (1)

Stoich.:

ABCD2E19F19 (1)

Weight, g/mol:

1268.842005

ΔHf, kcal/mol:

-17.19

Dipole, Da:

3.32

IP(EA), eV:

 -9.12(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-carboxy-2-[[4-carboxy-2-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]-2-(tetradecanoylamino)butanoyl]amino]butanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC12CCC(=O)N(C1CCC3=C2C=CC(=C3)C4=C(SC(=C4)Cl)Cl)C

DOS

IR

Vibrations