Geometry & MOs

Info

ID:	127844
PubChem CID:	51019400
Reduced:	S14H28C31 (1)
Stoich.:	A14B28C31 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	217.21
Dipole, Da:	2.73
IP(EA), eV:	-7.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4S,7S,8R,9R,11R)-2,6,6,9-tetramethyl-5-oxo-11-tricyclo[5.4.0.04,8]undec-2-enyl] acetate

Drug info:

PubChemData

Smile

CSC1=C(SC(=C2C3[C@H]4C[C@H](C3C(=C5SC(=C(S5)SC)SC)C6=CC7=C(C=C62)SC(=C8SC(=C(S8)SC)SC)S7)C=C4)S1)SC

DOS

IR

Vibrations