Geometry & MOs

Info

ID:	57566
PubChem CID:	22425483
Reduced:	FNSCl2O3H18C25 (1)
Stoich.:	ABCD2E3F18G25 (1)
Weight, g/mol:	374.057257
ΔH_f, kcal/mol:	-88.41
Dipole, Da:	3.91
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carbonyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=CC=CC=C2N=C1SCC3=C(C=C(C=C3)F)Cl)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations