Geometry & MOs

Info

ID:	274180
PubChem CID:	103807591
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	322.0117
ΔH_f, kcal/mol:	-167.6
Dipole, Da:	4.27
IP(EA), eV:	-8.47(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)NC(=O)CS(=O)(=O)CC2CCCO2

DOS

IR

Vibrations