Geometry & MOs

Info

ID:	292135
PubChem CID:	114465792
Reduced:	SN3O4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	311.093977
ΔH_f, kcal/mol:	-115.69
Dipole, Da:	5.24
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[[5-(3-aminoprop-1-ynyl)-2-methylphenyl]sulfamoyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations