Geometry & MOs

Info

ID:	134680
PubChem CID:	51738326
Reduced:	N3O5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-120.71
Dipole, Da:	1.78
IP(EA), eV:	-8.8(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-cyclohexyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)OC)N(C2CCCCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations