Geometry & MOs

Info

ID:

219818

PubChem CID:

85164928

Reduced:

N2O3C17H21 (2)

Stoich.:

A2B3C17D21 (2)

Weight, g/mol:

602.310435

ΔHf, kcal/mol:

-232.4

Dipole, Da:

10.1

IP(EA), eV:

 -8.66(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)CC)C)C(C)CC(=O)O)CCC(=O)O)C)C

DOS

IR

Vibrations