Geometry & MOs

Info

ID:	263189
PubChem CID:	103344686
Reduced:	BrClN2S2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	332.093844
ΔH_f, kcal/mol:	38.58
Dipole, Da:	3.09
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dimethyl-1,4-dithian-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C2=NC(=C(C(=N2)Cl)Br)C3CC3)C

DOS

IR

Vibrations