Geometry & MOs

Info

ID:	385211
PubChem CID:	134978529
Reduced:	SH6C7 (7)
Stoich.:	AB6C7 (7)
Weight, g/mol:	274.088134
ΔH_f, kcal/mol:	333.41
Dipole, Da:	0.63
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-trimethylsilyl-1,3-dithian-2-yl)cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CC12C3=CC=C(S3)C4(CC4)C5=CC=C(S5)C6(CC6)C7=CC=C(S7)C8(CC8)C9=CC=C(S9)C1(CC1)C1=CC=C(S1)C1(CC1)C1=CC=C(S1)C1(CC1)C1=CC=C2S1

DOS

IR

Vibrations