Geometry & MOs

Info

ID:	78020
PubChem CID:	49681554
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	367.080219
ΔH_f, kcal/mol:	-63.58
Dipole, Da:	3.33
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,4-difluorobenzoyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC(=N2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations