Geometry & MOs

Info

ID:	173321
PubChem CID:	75622660
Reduced:	SN3O6C12H20 (1)
Stoich.:	AB3C6D12E20 (1)
Weight, g/mol:	366.044106
ΔH_f, kcal/mol:	-247.41
Dipole, Da:	6.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754934
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCNS(=O)(=O)C1C=[N+](C(=O)N(C1=O)C)C

DOS

IR

Vibrations