Geometry & MOs

Info

ID:

219324

PubChem CID:

85098757

Reduced:

S2N8O9C36H42 (1)

Stoich.:

A2B8C9D36E42 (1)

Weight, g/mol:

795.34392

ΔHf, kcal/mol:

-220.86

Dipole, Da:

7.88

IP(EA), eV:

 -9.02(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(1-carboxyethylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C2=CC(=O)NO2)C(=O)NC(CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O)CN5C=CC(=O)C(=C5)O

DOS

IR

Vibrations