Geometry & MOs

Info

ID:	62384
PubChem CID:	26719658
Reduced:	OCl2N2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	392.069448
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	7.82
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dichloroanilino)-3-oxopropyl]-4-oxo-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations