Geometry & MOs

Info

ID:	68042
PubChem CID:	46507647
Reduced:	ClFSO2N3H17C25 (1)
Stoich.:	ABCD2E3F17G25 (1)
Weight, g/mol:	416.137222
ΔH_f, kcal/mol:	12.17
Dipole, Da:	3.47
IP(EA), eV:	-9.05(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-8-methyl-2-oxo-N-(4-phenylmethoxyphenyl)pyrano[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=NC3=CC=C(C=C3)F)C(=C2)C4=NC(=CS4)C5=CC=C(C=C5)Cl)CO

DOS

IR

Vibrations