Geometry & MOs

Info

ID:	406212
PubChem CID:	135076874
Reduced:	SO3C23H30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	180.035734
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	5.26
IP(EA), eV:	-8.97(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(thiophen-2-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate

Drug info:

PubChemData

Smile

CC1(C(=O)CCCC1=O)CC/C=C/C(=O)SCC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations