Geometry & MOs

Info

ID:

215433

PubChem CID:

85084726

Reduced:

N10O14C41H52 (1)

Stoich.:

A10B14C41D52 (1)

Weight, g/mol:

909.496004

ΔHf, kcal/mol:

-582.98

Dipole, Da:

8.74

IP(EA), eV:

 -9.12(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-methylbutanoyl)amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations