Geometry & MOs

Info

ID:	235688
PubChem CID:	92710420
Reduced:	SN4O4C26H32 (1)
Stoich.:	AB4C4D26E32 (1)
Weight, g/mol:	495.219178
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	10.18
IP(EA), eV:	-9.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(4-benzylpiperidine-1-carbonyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations