Geometry & MOs

Info

ID:	134983
PubChem CID:	51793465
Reduced:	ClN3O4C27H32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	497.208134
ΔH_f, kcal/mol:	-88.82
Dipole, Da:	3.03
IP(EA), eV:	-9.59(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C(=O)NC2CCCCC2)N(C3=CC=CC=C3Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations