Geometry & MOs

Info

ID:	78022
PubChem CID:	49681560
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	1.1
IP(EA), eV:	-9.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)NC2=NC3=C(S2)CN(CC3)C(=O)OCC

DOS

IR

Vibrations