Geometry & MOs

Info

ID:

391846

PubChem CID:

135010214

Reduced:

N2O3C24H28 (1)

Stoich.:

A2B3C24D28 (1)

Weight, g/mol:

479.194402

ΔHf, kcal/mol:

-66.84

Dipole, Da:

5.94

IP(EA), eV:

 -9.35(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3aS,3bR,9bS,11R,11aR)-11-acetyloxy-4-benzyl-2,2-dimethyl-5-oxo-3b,10,11,11a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]phenanthridine-9b-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@](N1C(=O)C2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)NCCCOC

DOS

IR

Vibrations