Geometry & MOs

Info

ID:	151528
PubChem CID:	53837761
Reduced:	N4O4F5C23H23 (1)
Stoich.:	A4B4C5D23E23 (1)
Weight, g/mol:	470.970199
ΔH_f, kcal/mol:	-326.75
Dipole, Da:	8.41
IP(EA), eV:	-9.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methoxyiminopropan-2-ylamino)-1-[2,3,6-trichloro-4-(trifluoromethylsulfanyl)phenyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(CCO)C(=O)C3=CC=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations