Geometry & MOs

Info

ID:

191815

PubChem CID:

78189258

Reduced:

N2O6C45H62 (1)

Stoich.:

A2B6C45D62 (1)

Weight, g/mol:

596.114321

ΔHf, kcal/mol:

-281.32

Dipole, Da:

4.7

IP(EA), eV:

 -9.07(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[(2-carboxy-4-methylsulfanylbutan-2-yl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-2-methyl-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCC1(CCCC1)N(CCO)C(=O)C2=CC=CC=C2CCC(CC3=C(C=C(C=C3)C)C(=O)N(CCOC(=O)C(C)C(C)C)C(C)(C)C4=CC=CC=C4)O

DOS

IR

Vibrations