Geometry & MOs

Info

ID:	436918
PubChem CID:	135212930
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	373.240565
ΔH_f, kcal/mol:	9.78
Dipole, Da:	8.63
IP(EA), eV:	-8.9(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[6-[4-(2-methylphenyl)phenyl]-3-azabicyclo[3.1.1]heptan-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CC3CN(C4)S(=O)(=O)C5=CN(C=N5)C

DOS

IR

Vibrations