Geometry & MOs

Info

ID:	375760
PubChem CID:	134221750
Reduced:	SF3N3O3C18H20 (1)
Stoich.:	AB3C3D3E18F20 (1)
Weight, g/mol:	347.110376
ΔH_f, kcal/mol:	-198.68
Dipole, Da:	2.73
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-[4-(3-fluoro-1-hydroxypropyl)phenyl]pyridin-2-yl]methyl-methyl-oxo-lambda6-sulfanylidene]cyanamide

Drug info:

PubChemData

Smile

CN=S(=O)(C)C1=NC=C(C=C1)C2=CC=C(C=C2)[C@H]([C@@H](CF)NC(=O)C(F)F)O

DOS

IR

Vibrations