Geometry & MOs

Info

ID:	134681
PubChem CID:	51738327
Reduced:	N3O5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	493.257671
ΔH_f, kcal/mol:	-115.14
Dipole, Da:	11.59
IP(EA), eV:	-9.35(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-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