Geometry & MOs

Info

ID:	298332
PubChem CID:	117648362
Reduced:	OSH10C11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	378.074822
ΔH_f, kcal/mol:	4.4
Dipole, Da:	1.16
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-methyl-4-[2-(4-prop-2-enoylsulfanylphenyl)ethynyl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C2=CC=C(C=C2)SC(=O)C(=C)C)SC(=O)C=C

DOS

IR

Vibrations