Geometry & MOs

Info

ID:

127852

PubChem CID:

51019408

Reduced:

NO4C24H29 (1)

Stoich.:

AB4C24D29 (1)

Weight, g/mol:

491.076324

ΔHf, kcal/mol:

-88.51

Dipole, Da:

3.16

IP(EA), eV:

 -9.07(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,8R)-3,5-dichloro-1-(diethylamino)-10,12-dioxo-11-phenyl-14-oxa-4,9,11,13-tetrazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-8-carboxylate

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C(=C2)C3=CC=CC=C3)C(=O)N4[C@H]5C[C@@H](O4)[C@H]6[C@@H]5OC(O6)(C)C)C

DOS

IR

Vibrations