Geometry & MOs

Info

ID:	343123
PubChem CID:	127266296
Reduced:	ClSN3O3C14H18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	315.04444
ΔH_f, kcal/mol:	-97.2
Dipole, Da:	7.81
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-(hydroxymethyl)phenyl]-1-ethylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)S(=O)(=O)NC2=CC=CC(=C2Cl)CO)C

DOS

IR

Vibrations