Geometry & MOs

Info

ID:	413753
PubChem CID:	135086703
Reduced:	BrO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	430.03506
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	4.14
IP(EA), eV:	-9.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-bromopyridin-3-yl)-4,6-dimethylphenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)C(=C)C(C1=CC(=CC=C1)Br)OC(=O)C

DOS

IR

Vibrations