Geometry & MOs

Info

ID:	343928
PubChem CID:	127267104
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	338.104876
ΔH_f, kcal/mol:	-88.2
Dipole, Da:	6.42
IP(EA), eV:	-8.79(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-ethoxyphenyl)sulfonylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)CO)[N+](=O)[O-]

DOS

IR

Vibrations