Geometry & MOs

Info

ID:	292137
PubChem CID:	114465798
Reduced:	SN4O4C10H12 (1)
Stoich.:	AB4C4D10E12 (1)
Weight, g/mol:	311.093977
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	4.89
IP(EA), eV:	-9.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl-methylsulfamoyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NS(=O)(=O)NC1=CC=CC(=N1)C#CCN

DOS

IR

Vibrations