Geometry & MOs

Info

ID:	297725
PubChem CID:	117626973
Reduced:	FSO2N6C23H23 (1)
Stoich.:	ABC2D6E23F23 (1)
Weight, g/mol:	482.293328
ΔH_f, kcal/mol:	-16.73
Dipole, Da:	5.96
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-benzoylphenyl)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC3=C(C(=O)N2CC4=CC=CC=C4C#N)SC(=C3)C(=O)N5CC(C5)F)N

DOS

IR

Vibrations