Geometry & MOs

Info

ID:	412628
PubChem CID:	135085525
Reduced:	BN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	234.038437
ΔH_f, kcal/mol:	-132.53
Dipole, Da:	4.44
IP(EA), eV:	-9.03(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-4,4-bis(methylsulfanyl)-2-oxobut-3-enoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2C3CC3)C

DOS

IR

Vibrations