Geometry & MOs

Info

ID:	195989
PubChem CID:	78760406
Reduced:	S2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	310.113984
ΔH_f, kcal/mol:	59.5
Dipole, Da:	3.56
IP(EA), eV:	-8.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=NC=CN2C

DOS

IR

Vibrations