Geometry & MOs

Info

ID:	205665
PubChem CID:	80132206
Reduced:	BrClN2S2O3C12H12 (1)
Stoich.:	ABC2D2E3F12G12 (1)
Weight, g/mol:	408.92088
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	2.27
IP(EA), eV:	-9.62(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2S(=O)(=O)C3=CC(=C(S3)Br)Cl

DOS

IR

Vibrations