Geometry & MOs

Info

ID:	373761
PubChem CID:	131319742
Reduced:	ClNO2F3H3S3C8 (1)
Stoich.:	ABC2D3E3F3G8 (1)
Weight, g/mol:	218.085541
ΔH_f, kcal/mol:	-174.58
Dipole, Da:	5.16
IP(EA), eV:	-9.87(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1SC(F)(F)F)S)S(=O)(=O)Cl)C#N

DOS

IR

Vibrations