Geometry & MOs

Info

ID:

308054

PubChem CID:

125316761

Reduced:

N3O5H29C30 (1)

Stoich.:

A3B5C29D30 (1)

Weight, g/mol:

379.072369

ΔHf, kcal/mol:

-74.25

Dipole, Da:

3.2

IP(EA), eV:

 -8.32(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,11R,12R,16R)-11-(4-chlorobenzoyl)-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)CC6=CC(=CC=C6)OC)OC

DOS

IR

Vibrations