Geometry & MOs

Info

ID:	413745
PubChem CID:	135086695
Reduced:	ClO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	416.01941
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	2.21
IP(EA), eV:	-9.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CC(=O)/C(=C/C1=CC=CC=C1)/Cl

DOS

IR

Vibrations