Geometry & MOs

Info

ID:	197644
PubChem CID:	78983861
Reduced:	BrN2S2O4H11C12 (1)
Stoich.:	AB2C2D4E11F12 (1)
Weight, g/mol:	355.92888
ΔH_f, kcal/mol:	-37.87
Dipole, Da:	8.9
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-3-cyanobenzenesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=C(C=CS2)Br)[N+](=O)[O-]

DOS

IR

Vibrations