Geometry & MOs

Info

ID:

219808

PubChem CID:

85164917

Reduced:

O9C34H48 (1)

Stoich.:

A9B34C48 (1)

Weight, g/mol:

600.3523

ΔHf, kcal/mol:

-372.71

Dipole, Da:

4.91

IP(EA), eV:

 -9.38(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[4-[(2-amino-3-methylbutanoyl)amino]butoxy]phenyl]methylamino]-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid

Drug info:

PubChemData

Smile

CCC(=O)OCC1=CC2C(=O)OC3CC(CC=C(CC(C=CC=C4C2(C(C1O)OC4)O)C)C)OC5(C3)CCC(C(O5)C)C

DOS

IR

Vibrations