Geometry & MOs

Info

ID:	313189
PubChem CID:	126612458
Reduced:	ClSO2N4F5H14C16 (1)
Stoich.:	ABC2D4E5F14G16 (1)
Weight, g/mol:	380.08516
ΔH_f, kcal/mol:	-226.44
Dipole, Da:	9.09
IP(EA), eV:	-9.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-6-[4-(difluoromethyl)phenoxy]pyridin-3-yl]-1-(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)(C2=C(N=C(C=C2)OC3=CC=C(C=C3)S(F)(F)(F)(F)F)Cl)O

DOS

IR

Vibrations