Geometry & MOs

Info

ID:	57567
PubChem CID:	22425487
Reduced:	SN2O6H14C17 (1)
Stoich.:	AB2C6D14E17 (1)
Weight, g/mol:	342.101585
ΔH_f, kcal/mol:	-180.06
Dipole, Da:	3.04
IP(EA), eV:	-8.82(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=O)C(=C2)C(=O)NC3=C(SC=C3)C(=O)OC)CO

DOS

IR

Vibrations