Geometry & MOs

Info

ID:	277366
PubChem CID:	103828102
Reduced:	NSBr2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	306.040734
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	4.11
IP(EA), eV:	-8.71(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(SC(=C2)Br)Br)O

DOS

IR

Vibrations