Geometry & MOs

Info

ID:	406066
PubChem CID:	135076444
Reduced:	NSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	250.110613
ΔH_f, kcal/mol:	-23.7
Dipole, Da:	4.74
IP(EA), eV:	-9.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,3S)-2-benzylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C(=C/S(=O)(=O)C2=CC=CC=N2)/C

DOS

IR

Vibrations