Geometry & MOs

Info

ID:	180600
PubChem CID:	76658959
Reduced:	NSF2O4C24H35 (1)
Stoich.:	ABC2D4E24F35 (1)
Weight, g/mol:	469.266208
ΔH_f, kcal/mol:	-276.07
Dipole, Da:	7.01
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butylsulfonyl-1-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]heptan-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C=C(C=C2F)CC(=O)C3CCC(CC3)CS(=O)(=O)C(C)C)F

DOS

IR

Vibrations