Geometry & MOs

Info

ID:	298338
PubChem CID:	117648383
Reduced:	S2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	378.074822
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	3.89
IP(EA), eV:	-8.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations