Geometry & MOs

Info

ID:	235772
PubChem CID:	92710590
Reduced:	S2N3O4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	-133.5
Dipole, Da:	6.9
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCCC4=CC=CS4

DOS

IR

Vibrations