Geometry & MOs

Info

ID:	192848
PubChem CID:	78319418
Reduced:	OCl2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	427.074199
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	8.56
IP(EA), eV:	-9.27(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-5-(3-chlorophenyl)benzoyl]amino]-4-propan-2-ylbenzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2)C3=CN=CC=C3.Cl.Cl

DOS

IR

Vibrations