Geometry & MOs

Info

ID:	41033
PubChem CID:	8145147
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	375.155611
ΔH_f, kcal/mol:	-111.84
Dipole, Da:	4.4
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations