Geometry & MOs

Info

ID:	278314
PubChem CID:	103834784
Reduced:	NS2O3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	337.076613
ΔH_f, kcal/mol:	-125.41
Dipole, Da:	5.1
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations