Geometry & MOs

Info

ID:	403617
PubChem CID:	135061042
Reduced:	O8C17H24 (1)
Stoich.:	A8B17C24 (1)
Weight, g/mol:	392.147987
ΔH_f, kcal/mol:	-312.07
Dipole, Da:	0.93
IP(EA), eV:	-9.74(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-[(2S)-2-ethoxy-3-methyl-1-[(S)-(4-methylphenyl)sulfinyl]butyl]sulfinyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC1(C(OC2C(O1)C(=O)OCC/C=C/C(=C)COC2=O)(C)OC)OC

DOS

IR

Vibrations