Geometry & MOs

Info

ID:	292144
PubChem CID:	114465858
Reduced:	ClSN3O4C12H14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	317.023705
ΔH_f, kcal/mol:	-112.58
Dipole, Da:	3.29
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]sulfamoyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NS(=O)(=O)NC1=C(C=C(C=C1)Cl)C#CCN

DOS

IR

Vibrations