Geometry & MOs

Info

ID:

188078

PubChem CID:

77666253

Reduced:

N3O8C34H45 (1)

Stoich.:

A3B8C34D45 (1)

Weight, g/mol:

527.263151

ΔHf, kcal/mol:

-330.51

Dipole, Da:

3.79

IP(EA), eV:

 -9.35(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCCCC(=O)OC)CC(CCCNC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations