Geometry & MOs

Info

ID:	157043
PubChem CID:	56413050
Reduced:	SO2N4C24H34 (1)
Stoich.:	AB2C4D24E34 (1)
Weight, g/mol:	456.255898
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	4.2
IP(EA), eV:	-8.65(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CSC3=NC=CN3C4=CC=CC=C4C

DOS

IR

Vibrations