Geometry & MOs

Info

ID:	197646
PubChem CID:	78983863
Reduced:	BrClNO2S3H7C9 (1)
Stoich.:	ABCD2E3F7G9 (1)
Weight, g/mol:	389.93436
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	3.63
IP(EA), eV:	-9.4(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CSC(=C1Br)CNS(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations