Geometry & MOs

Info

ID:	171722
PubChem CID:	75416663
Reduced:	OSF2N2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	334.035649
ΔH_f, kcal/mol:	-90.81
Dipole, Da:	3.67
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(3-methyl-2-nitrobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCOCCSC1=NC2=CC(=C(C=C2N1)F)F

DOS

IR

Vibrations