Geometry & MOs

Info

ID:	180594
PubChem CID:	76658886
Reduced:	SF2N2O4C24H36 (1)
Stoich.:	AB2C2D4E24F36 (1)
Weight, g/mol:	409.22868
ΔH_f, kcal/mol:	-279.73
Dipole, Da:	4.77
IP(EA), eV:	-8.58(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-7-propan-2-ylsulfonylheptan-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C=C(C=C2F)CC(=O)N3CCC(CC3)CS(=O)(=O)C(C)(C)C)F

DOS

IR

Vibrations