Geometry & MOs

Info

ID:

214804

PubChem CID:

85083671

Reduced:

N4O7C34H36 (1)

Stoich.:

A4B7C34D36 (1)

Weight, g/mol:

612.301996

ΔHf, kcal/mol:

-195.05

Dipole, Da:

8.44

IP(EA), eV:

 -8.7(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]butanediamide

Drug info:

PubChemData

Smile

CN1C=CC=C1CNCC2=CC=C(C=C2)C3=C4CC5CC6C(C(=O)C(C(=O)C6(C(=O)C5C(=O)C4=C(C=C3)O)O)C(=O)N)N(C)C

DOS

IR

Vibrations