Geometry & MOs

Info

ID:	218598
PubChem CID:	85089665
Reduced:	PSN2O5C22H48 (1)
Stoich.:	ABC2D5E22F48 (1)
Weight, g/mol:	482.375995
ΔH_f, kcal/mol:	-327.43
Dipole, Da:	14.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.766853
Charge, e:	0

Chem-info

IUPAC name:

(4,4,6a,6b,8a,11,11,14b-octamethyl-6-oxo-2,3,4a,5,7,8,9,10,12,12a,13,14-dodecahydro-1H-picen-3-yl) acetate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)CSCCCCCC

DOS

IR

Vibrations