Geometry & MOs

Info

ID:

334755

PubChem CID:

127253430

Reduced:

N2O7C29H34 (1)

Stoich.:

A2B7C29D34 (1)

Weight, g/mol:

489.142367

ΔHf, kcal/mol:

-231.95

Dipole, Da:

3.72

IP(EA), eV:

 -8.53(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(13Z)-14-oxo-13-[(2,4,5-trimethoxyphenyl)methylidene]-2,12-dioxa-4-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11(15),16-hexaen-9-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NC2CCN(CC2)CC3=CC=C(C=C3)OC)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations