Geometry & MOs

Info

ID:	344818
PubChem CID:	127268458
Reduced:	SN2O3C19H30 (1)
Stoich.:	AB2C3D19E30 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	3.59
IP(EA), eV:	-9.0(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(cyclohexylmethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)NCC2CN(CCO2)CC3=CC=CC=C3

DOS

IR

Vibrations