Geometry & MOs

Info

ID:	421428
PubChem CID:	135115993
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	336.060235
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	5.04
IP(EA), eV:	-9.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC4=C(CCCC4)N=C3

DOS

IR

Vibrations