Geometry & MOs

Info

ID:	67483
PubChem CID:	46506557
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	361.069654
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	8.94
IP(EA), eV:	-9.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)OCC)NC=C(C#N)C#N

DOS

IR

Vibrations