Geometry & MOs

Info

ID:	164462
PubChem CID:	74403121
Reduced:	FO2N5C29H30 (1)
Stoich.:	AB2C5D29E30 (1)
Weight, g/mol:	482.122166
ΔH_f, kcal/mol:	7.96
Dipole, Da:	10.43
IP(EA), eV:	-8.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,2-bis(benzenesulfonyl)ethyl]-4-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3C(=O)N4CC(CN(C4=N3)CC5CC5)(C)C6=CC=C(C=C6)F)OC

DOS

IR

Vibrations