Geometry & MOs

Info

ID:	401491
PubChem CID:	135051436
Reduced:	O2S2H20C33 (1)
Stoich.:	A2B2C20D33 (1)
Weight, g/mol:	362.08665
ΔH_f, kcal/mol:	150.39
Dipole, Da:	6.4
IP(EA), eV:	-8.83(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[bis(ethylsulfanyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC#CC1=C(SC(=C1)C(=O)C2=CC=CC=C2)C3=C(C=C(S3)C(=O)C4=CC=CC=C4)C#CC5=CC=CC=C5

DOS

IR

Vibrations