Geometry & MOs

Info

ID:	19591
PubChem CID:	568623
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	281.098669
ΔH_f, kcal/mol:	101.35
Dipole, Da:	4.03
IP(EA), eV:	-8.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diphenyl-3,4-dihydropyrazole-2-carboximidothioic acid

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CC=C2)C(=N)S)C3=CC=CC=C3

DOS

IR

Vibrations