Geometry & MOs

Info

ID:	235763
PubChem CID:	92710578
Reduced:	SN4O4C24H36 (1)
Stoich.:	AB4C4D24E36 (1)
Weight, g/mol:	476.245727
ΔH_f, kcal/mol:	-168.57
Dipole, Da:	6.82
IP(EA), eV:	-9.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCCN4CCCCCC4

DOS

IR

Vibrations