Geometry & MOs

Info

ID:	134982
PubChem CID:	51793224
Reduced:	N2O2Cl3H23C25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	497.208134
ΔH_f, kcal/mol:	-45.22
Dipole, Da:	3.44
IP(EA), eV:	-9.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)Cl)N(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations