Geometry & MOs

Info

ID:

162119

PubChem CID:

57393669

Reduced:

O3C14H16 (1)

Stoich.:

A3B14C16 (1)

Weight, g/mol:

568.278466

ΔHf, kcal/mol:

-110.4

Dipole, Da:

3.98

IP(EA), eV:

 -9.18(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 6-methoxy-7-nitro-1-oxo-3,4-dihydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=O)CC(=O)C1)COC2=CC=CC=C2

DOS

IR

Vibrations