Geometry & MOs

Info

ID:

46650

PubChem CID:

10525949

Reduced:

O3N8H16C20 (1)

Stoich.:

A3B8C16D20 (1)

Weight, g/mol:

416.173607

ΔHf, kcal/mol:

89.5

Dipole, Da:

9.77

IP(EA), eV:

 -9.11(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,12S)-10-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C(=O)O2)NC(=O)C3=CC=CC=C3)/C(=N/NC4=NN5C(=NN=N5)C=C4)/C1

DOS

IR

Vibrations