Geometry & MOs

Info

ID:	78019
PubChem CID:	49681553
Reduced:	FSN3O4C17H18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-160.35
Dipole, Da:	3.27
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3,3-diphenylpropanoylamino)-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)COC3=CC=CC=C3F

DOS

IR

Vibrations