Geometry & MOs

Info

ID:	255160
PubChem CID:	103130433
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	266.028062
ΔH_f, kcal/mol:	24.73
Dipole, Da:	6.94
IP(EA), eV:	-8.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)C2=NN(C=C2)C

DOS

IR

Vibrations