Geometry & MOs

Info

ID:	235771
PubChem CID:	92710588
Reduced:	S2N3O4C22H33 (1)
Stoich.:	A2B3C4D22E33 (1)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	-177.33
Dipole, Da:	4.73
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-5-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCCSCCCNC(=O)[C@@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations