Geometry & MOs

Info

ID:	6491
PubChem CID:	68747
Reduced:	NCl2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	391.074199
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	2.71
IP(EA), eV:	-9.43(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,4-bis(4-chlorophenyl)butan-2-ylamino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)NC(=O)C=CC(=O)O

DOS

IR

Vibrations