Geometry & MOs

Info

ID:	235770
PubChem CID:	92710587
Reduced:	SN4O4C25H38 (1)
Stoich.:	AB4C4D25E38 (1)
Weight, g/mol:	467.191249
ΔH_f, kcal/mol:	-173.64
Dipole, Da:	4.09
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCCN(C)C4CCCCC4

DOS

IR

Vibrations