Geometry & MOs

Info

ID:	26907
PubChem CID:	804077
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	281.098669
ΔH_f, kcal/mol:	-40.82
Dipole, Da:	10.44
IP(EA), eV:	-8.5(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3CC3)C)C(=O)N(C1=S)CC

DOS

IR

Vibrations