Geometry & MOs

Info

ID:	134973
PubChem CID:	51791729
Reduced:	ClN3O3C31H42 (1)
Stoich.:	AB3C3D31E42 (1)
Weight, g/mol:	483.22887
ΔH_f, kcal/mol:	-143.89
Dipole, Da:	5.09
IP(EA), eV:	-9.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-[(1R)-2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-chloroanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1CCCCC1)N(C2=CC=CC=C2Cl)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations