Geometry & MOs

Info

ID:	226089
PubChem CID:	87322650
Reduced:	ClNS2O4F5H13C19 (1)
Stoich.:	ABC2D4E5F13G19 (1)
Weight, g/mol:	453.018256
ΔH_f, kcal/mol:	-364.19
Dipole, Da:	7.75
IP(EA), eV:	-8.94(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(2,2-difluoroacetyl)pyrazol-3-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(=O)C3=CC=C(S3)SC(C(F)(F)F)(F)F)C=CC(=C2Cl)OC)CC(=O)O

DOS

IR

Vibrations