Geometry & MOs

Info

ID:	60013
PubChem CID:	26664473
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	407.092436
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	7.83
IP(EA), eV:	-9.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 4-(4-chlorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations