Geometry & MOs

Info

ID:

164372

PubChem CID:

74391647

Reduced:

S2N7O8C38H47 (1)

Stoich.:

A2B7C8D38E47 (1)

Weight, g/mol:

443.274384

ΔHf, kcal/mol:

-213.97

Dipole, Da:

5.73

IP(EA), eV:

 -8.95(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=CC=CC=C6N=C5C7=CC=CS7

DOS

IR

Vibrations