Geometry & MOs

Info

ID:	197458
PubChem CID:	78967149
Reduced:	NSO6C11H19 (1)
Stoich.:	ABC6D11E19 (1)
Weight, g/mol:	261.103479
ΔH_f, kcal/mol:	-260.62
Dipole, Da:	4.63
IP(EA), eV:	-9.78(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[propyl(prop-2-ynyl)sulfamoyl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCS(=O)(=O)N1CCC(C1)C(=O)OC

DOS

IR

Vibrations