Geometry & MOs

Info

ID:	313188
PubChem CID:	126612434
Reduced:	FNSCl2O2H16C22 (1)
Stoich.:	ABCD2E2F16G22 (1)
Weight, g/mol:	456.044615
ΔH_f, kcal/mol:	-77.36
Dipole, Da:	4.73
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-6-[4-(pentafluoro-lambda6-sulfanyl)phenoxy]pyridin-3-yl]-1-(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC(=C2Cl)CC3=C(C=C4C=CC=C(C4=C3)Cl)F)C=C1S(=O)(=O)N

DOS

IR

Vibrations