Geometry & MOs

Info

ID:	184259
PubChem CID:	77136551
Reduced:	OSN2C13H26 (1)
Stoich.:	ABC2D13E26 (1)
Weight, g/mol:	532.366493
ΔH_f, kcal/mol:	-78.83
Dipole, Da:	2.3
IP(EA), eV:	-8.81(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(11-cyano-2,2,6a,6b,9,12a-hexamethyl-10,14-dioxo-3,4,5,6,7,8,8a,9,14a,14b-decahydro-1H-picen-4a-yl)-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(C(C)C)C(=O)N1CCSCC1

DOS

IR

Vibrations