Geometry & MOs

Info

ID:	67489
PubChem CID:	46506568
Reduced:	FSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-24.45
Dipole, Da:	3.47
IP(EA), eV:	-8.89(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=NC3=CC=CC=C3F)C(=C2)C(=S)N)CO

DOS

IR

Vibrations