Geometry & MOs

Info

ID:	180599
PubChem CID:	76658958
Reduced:	FSN2O4C23H35 (1)
Stoich.:	ABC2D4E23F35 (1)
Weight, g/mol:	471.225486
ΔH_f, kcal/mol:	-232.71
Dipole, Da:	5.47
IP(EA), eV:	-8.32(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations