Geometry & MOs

Info

ID:	375764
PubChem CID:	134221754
Reduced:	OSN3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	502.30831
ΔH_f, kcal/mol:	35.35
Dipole, Da:	9.61
IP(EA), eV:	-9.46(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,6aR,6bR,9R,12aS)-2,6a-bis(ethenyl)-9-ethynyl-4a,6b,9,12a-tetramethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)S(=NC#N)(=O)C

DOS

IR

Vibrations