Geometry & MOs

Info

ID:

392943

PubChem CID:

135018613

Reduced:

O9C41H66 (1)

Stoich.:

A9B41C66 (1)

Weight, g/mol:

325.106256

ΔHf, kcal/mol:

-406.04

Dipole, Da:

2.2

IP(EA), eV:

 -8.8(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methoxy-13,15-dimethyl-8-oxa-13,15,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17)-hexaene-14,16-dione

Drug info:

PubChemData

Smile

C/C=C(\C)/C[C@H](C)[C@@H]([C@@H](C)C1C(C(CC2(O1)C(CC(C(O2)[C@@H](C)[C@H]([C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)O)C)O)OC)C)O

DOS

IR

Vibrations