Geometry & MOs

Info

ID:	127286
PubChem CID:	50997280
Reduced:	SO2N3C27H31 (1)
Stoich.:	AB2C3D27E31 (1)
Weight, g/mol:	485.198442
ΔH_f, kcal/mol:	-21.15
Dipole, Da:	2.42
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-(5-methylsulfonyl-2,3-dihydroindole-1-carbonyl)pyridin-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=CSC=N4)[C@@H](C5=CC=CC=C5)O

DOS

IR

Vibrations