Geometry & MOs

Info

ID:	292142
PubChem CID:	114465837
Reduced:	SN3O4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	317.050398
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	3.27
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)NC(=O)OC)C#CCN

DOS

IR

Vibrations