Geometry & MOs

Info

ID:	134978
PubChem CID:	51792074
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	479.161184
ΔH_f, kcal/mol:	-118.7
Dipole, Da:	7.21
IP(EA), eV:	-9.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-chlorophenyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](/C=C/C)N(C1=CC=CC=C1Cl)C(=O)[C@@H]2CCC(=O)N2

DOS

IR

Vibrations