Geometry & MOs

Info

ID:	159920
PubChem CID:	57298453
Reduced:	NSO3C6H11 (1)
Stoich.:	ABC3D6E11 (1)
Weight, g/mol:	406.323566
ΔH_f, kcal/mol:	-138.74
Dipole, Da:	4.18
IP(EA), eV:	-9.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S)-2-methylcyclohexyl]-4-(2-methyloctan-2-yl)-2-phenylmethoxybenzene

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)S(=O)O

DOS

IR

Vibrations