Geometry & MOs

Info

ID:	67484
PubChem CID:	46506558
Reduced:	SF2O2N3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	373.065176
ΔH_f, kcal/mol:	-70.82
Dipole, Da:	3.57
IP(EA), eV:	-8.93(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=NC3=C(C=CC(=C3)F)F)C(=C2)C(=S)N)CO

DOS

IR

Vibrations