Geometry & MOs

Info

ID:	298337
PubChem CID:	117648382
Reduced:	S2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	398.064651
ΔH_f, kcal/mol:	-83.31
Dipole, Da:	2.85
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-prop-2-enoylsulfanylphenyl) 4-(2-methylprop-2-enoylsulfanyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC(=O)C(=C)C)C(=O)OC2=CC=C(C=C2)SC(=O)C=C

DOS

IR

Vibrations