Geometry & MOs

Info

ID:	243243
PubChem CID:	99217699
Reduced:	SO2N3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	475.093498
ΔH_f, kcal/mol:	28.88
Dipole, Da:	3.22
IP(EA), eV:	-8.8(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-nitrobenzoyl)-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C2=CC(=CC=C2)NC(=O)C3=NC(=CS3)C4=CC=CC=C4)C

DOS

IR

Vibrations