Geometry & MOs

Info

ID:

214960

PubChem CID:

85083925

Reduced:

N6O8C33H46 (1)

Stoich.:

A6B8C33D46 (1)

Weight, g/mol:

654.337712

ΔHf, kcal/mol:

-354.71

Dipole, Da:

5.64

IP(EA), eV:

 -8.48(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]propanoylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)N)N

DOS

IR

Vibrations