Geometry & MOs

Info

ID:

189824

PubChem CID:

77909575

Reduced:

S2N4O6H40C41 (1)

Stoich.:

A2B4C6D40E41 (1)

Weight, g/mol:

582.46481

ΔHf, kcal/mol:

-110.58

Dipole, Da:

2.2

IP(EA), eV:

 -8.67(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

octyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(C=C)C2CCN3C(C2)C(SC3=O)C4=CC(=NC5=C4C=C(C=C5)OC)C6=CC=C(C=C6)OC7=CC=CC=C7

DOS

IR

Vibrations