Geometry & MOs

Info

ID:	40893
PubChem CID:	8144915
Reduced:	O2S2N4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	351.11116
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	4.22
IP(EA), eV:	-8.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[(5-chloro-2,3-dioxoindol-1-yl)methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)SC(=N2)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations