Geometry & MOs

Info

ID:	448754
PubChem CID:	135293336
Reduced:	OSF4N7H19C21 (1)
Stoich.:	ABC4D7E19F21 (1)
Weight, g/mol:	458.086525
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	5.44
IP(EA), eV:	-8.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyridine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C(CN(N)/N=C\N)(C(C2=NC=C(C=C2)OCC3=CC=C(S3)C#N)(F)F)N

DOS

IR

Vibrations