Geometry & MOs

Info

ID:	383874
PubChem CID:	134975901
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	208.128572
ΔH_f, kcal/mol:	-69.79
Dipole, Da:	7.35
IP(EA), eV:	-8.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-11-thiabicyclo[8.2.1]trideca-1(12),10(13)-diene

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)N2CCCCC2)/C=C/C(=O)OC

DOS

IR

Vibrations