Geometry & MOs

Info

ID:

307740

PubChem CID:

125308745

Reduced:

N3O4C25H25 (1)

Stoich.:

A3B4C25D25 (1)

Weight, g/mol:

431.184506

ΔHf, kcal/mol:

-111.28

Dipole, Da:

0.95

IP(EA), eV:

 -9.0(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1R,11R,12R,16S)-14-(4-methylphenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](N4[C@@H]3C5=CC=CC=C5C=N4)C(=O)OC(C)(C)C

DOS

IR

Vibrations