Geometry & MOs

Info

ID:	43253
PubChem CID:	10320226
Reduced:	ClO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	425.022163
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	3.26
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-chlorobenzoyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC=C2NC(=O)NC3CCN(C3)C4=C(C=CC(=N4)OC)Cl)C(=N1)C

DOS

IR

Vibrations