Geometry & MOs

Info

ID:	85384
PubChem CID:	49874652
Reduced:	ClNOC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	1.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750103
Charge, e:	0

Chem-info

IUPAC name:

4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(C)N)C.[Cl-]

DOS

IR

Vibrations