Geometry & MOs

Info

ID:	78016
PubChem CID:	49681545
Reduced:	SF2N3O3H15C16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	447.146407
ΔH_f, kcal/mol:	-164.15
Dipole, Da:	4.84
IP(EA), eV:	-9.39(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]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)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations