Geometry & MOs

Info

ID:	26204
PubChem CID:	641066
Reduced:	FN2O4C12H17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	374.049191
ΔH_f, kcal/mol:	-204.44
Dipole, Da:	6.03
IP(EA), eV:	-9.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-chlorophenyl)-2-oxoethoxy]-8-methoxy-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=NC(=O)C(=CN1[C@H]2C[C@@H]([C@H](O2)CO)F)C

DOS

IR

Vibrations