Geometry & MOs

Info

ID:	310320
PubChem CID:	126578695
Reduced:	O4N5C12H15 (1)
Stoich.:	A4B5C12D15 (1)
Weight, g/mol:	509.054115
ΔH_f, kcal/mol:	-76.39
Dipole, Da:	3.75
IP(EA), eV:	-9.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(5-chloropyridin-3-yl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN=CC1=C2C(=NC=N1)N(C=N2)[C@H]3C([C@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations