Geometry & MOs

Info

ID:	404387
PubChem CID:	135066102
Reduced:	S2N3O6H19C20 (1)
Stoich.:	A2B3C6D19E20 (1)
Weight, g/mol:	408.154787
ΔH_f, kcal/mol:	-169.09
Dipole, Da:	5.1
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-3-[(E)-2-phenylethenyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@@H](NC(=S)N2S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCOC4=O

DOS

IR

Vibrations