Geometry & MOs

Info

ID:	135685
PubChem CID:	51915612
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	456.171893
ΔH_f, kcal/mol:	-190.3
Dipole, Da:	6.51
IP(EA), eV:	-8.62(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)C)C)C

DOS

IR

Vibrations