Geometry & MOs

Info

ID:

224133

PubChem CID:

85338567

Reduced:

N7O9C32H57 (1)

Stoich.:

A7B9C32D57 (1)

Weight, g/mol:

688.329456

ΔHf, kcal/mol:

-482.68

Dipole, Da:

2.56

IP(EA), eV:

 -9.85(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]heptanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(C(C)C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(CO)N

DOS

IR

Vibrations