Geometry & MOs

Info

ID:	226079
PubChem CID:	87322638
Reduced:	SN2O6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	451.038992
ΔH_f, kcal/mol:	-132.63
Dipole, Da:	7.79
IP(EA), eV:	-10.47(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(3,3-difluoroprop-1-en-2-yl)pyrazol-3-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)S(=O)(=O)OCCCC(=O)N

DOS

IR

Vibrations