Geometry & MOs

Info

ID:	413396
PubChem CID:	135086345
Reduced:	N2O6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	348.97721
ΔH_f, kcal/mol:	-190.3
Dipole, Da:	5.66
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)ethynyl]-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N\OC(=O)C)/C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C

DOS

IR

Vibrations