Geometry & MOs

Info

ID:	18587
PubChem CID:	543586
Reduced:	SC16H26 (2)
Stoich.:	AB16C26 (2)
Weight, g/mol:	500.351044
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	0.7
IP(EA), eV:	-8.44(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl)-1,3-dithiolane

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCC5(C)C)C)C)C2C1C)C)C6SCCS6

DOS

IR

Vibrations