Geometry & MOs

Info

ID:	395954
PubChem CID:	135027022
Reduced:	SN2O2H28C30 (1)
Stoich.:	AB2C2D28E30 (1)
Weight, g/mol:	208.092186
ΔH_f, kcal/mol:	39.08
Dipole, Da:	7.33
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-4-(4-methylsulfanylphenyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C/C(=N\NS(=O)(=O)C2=CC=C(C=C2)C)/C3=CC=CC=C3)C4=CC=C(C=C4)C

DOS

IR

Vibrations