Geometry & MOs

Info

ID:

189856

PubChem CID:

77916160

Reduced:

N4O39C53H88 (1)

Stoich.:

A4B39C53D88 (1)

Weight, g/mol:

454.344695

ΔHf, kcal/mol:

-1783.26

Dipole, Da:

5.51

IP(EA), eV:

 -10.23(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)OC4C(C(OC(C4O)OC5C(OC(C(C5O)NC(=O)C)OC6C(C(OC(C6O)OC7C(OC(C(C7O)NC(=O)C)O)CO)CO)O)CO)CO)O)CO)CO)O)O

DOS

IR

Vibrations