Geometry & MOs

Info

ID:	243205
PubChem CID:	99216951
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	410.169785
ΔH_f, kcal/mol:	59.63
Dipole, Da:	2.71
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutylsulfanyl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=CC=CN21)C3=CC=CC=C3)C(=O)C4=NCC(=O)N(N4)C5=CC=CC=C5

DOS

IR

Vibrations