Geometry & MOs

Info

ID:	134794
PubChem CID:	51756780
Reduced:	N2O2C31H54 (1)
Stoich.:	A2B2C31D54 (1)
Weight, g/mol:	507.309707
ΔH_f, kcal/mol:	-175.04
Dipole, Da:	1.03
IP(EA), eV:	-9.12(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]-N-hexyl-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=C(C=C1)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)[C@@H](CC)CCCC

DOS

IR

Vibrations