Geometry & MOs

Info

ID:	169654
PubChem CID:	75132127
Reduced:	N4O7C33H36 (1)
Stoich.:	A4B7C33D36 (1)
Weight, g/mol:	561.2475
ΔH_f, kcal/mol:	-236.39
Dipole, Da:	5.7
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenylmethoxycarbonylamino)-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(CCCCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations