Geometry & MOs

Info

ID:	140368
PubChem CID:	52687496
Reduced:	NCl2S2O4H12C13 (1)
Stoich.:	AB2C2D4E12F13 (1)
Weight, g/mol:	380.966306
ΔH_f, kcal/mol:	-88.66
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.060526
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(SC(=C2)Cl)Cl)CO

DOS

IR

Vibrations