Geometry & MOs

Info

ID:	277704
PubChem CID:	103830474
Reduced:	BrNSO4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	322.99572
ΔH_f, kcal/mol:	-157.14
Dipole, Da:	6.67
IP(EA), eV:	-9.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-fluoro-2-methylphenyl)-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations