Geometry & MOs

Info

ID:	68038
PubChem CID:	46507642
Reduced:	ClFOSN2H16C18 (1)
Stoich.:	ABCDE2F16G18 (1)
Weight, g/mol:	402.02152
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	6.25
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2C(=S)NC3CC2(OC4=C3C=C(C=C4)Cl)C

DOS

IR

Vibrations