Geometry & MOs

Info

ID:	403732
PubChem CID:	135061632
Reduced:	S2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	402.132337
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	7.04
IP(EA), eV:	-8.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(S)-[(2S)-3-methyl-1-[(S)-(4-methylphenyl)sulfinyl]-2-prop-2-ynoxybutyl]sulfinyl]benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C([C@H](C(C)C)OCC2=CC=CC=C2)[S@@](=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations