Geometry & MOs

Info

ID:	180596
PubChem CID:	76658955
Reduced:	NSO4C23H37 (1)
Stoich.:	ABC4D23E37 (1)
Weight, g/mol:	449.25998
ΔH_f, kcal/mol:	-196.3
Dipole, Da:	8.46
IP(EA), eV:	-8.08(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=C(C=C2)CC(=O)CCCCCS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations