Geometry & MOs

Info

ID:	179407
PubChem CID:	76478256
Reduced:	N4O6C35H44 (1)
Stoich.:	A4B6C35D44 (1)
Weight, g/mol:	430.119858
ΔH_f, kcal/mol:	-213.14
Dipole, Da:	4.45
IP(EA), eV:	-9.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)sulfonyl-(6-oxa-1-azabicyclo[3.1.0]hexane-2-carbonyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)NC(=O)C(CC1=CC=CC=C1C2=CC=CC=C2)(C(C)CO)NNC(=O)C(C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations