Geometry & MOs

Info

ID:	40839
PubChem CID:	8144800
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	349.191603
ΔH_f, kcal/mol:	-75.83
Dipole, Da:	2.67
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-methylindole-2,3-dione

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)NCC(=O)NC

DOS

IR

Vibrations