Geometry & MOs

Info

ID:	134679
PubChem CID:	51738325
Reduced:	N3O4C24H37 (1)
Stoich.:	A3B4C24D37 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-112.35
Dipole, Da:	8.76
IP(EA), eV:	-9.9(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC[C@H](C(=O)NCCCC)N(C1CCCCC1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations