Geometry & MOs

Info

ID:	263190
PubChem CID:	103344719
Reduced:	O2S3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	200.032957
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	4.01
IP(EA), eV:	-8.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-yn-1-one

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(=O)C2CCOC3(C2)CCSC3)C

DOS

IR

Vibrations