Geometry & MOs

Info

ID:	43730
PubChem CID:	10321710
Reduced:	ClS2N3O4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	453.881741
ΔH_f, kcal/mol:	-107.95
Dipole, Da:	4.86
IP(EA), eV:	-8.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-[dichloro(fluoro)methyl]sulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CSC[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2=O)NC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations