Geometry & MOs

Info

ID:

13718

PubChem CID:

397169

Reduced:

N3O3C25H27 (1)

Stoich.:

A3B3C25D27 (1)

Weight, g/mol:

417.205242

ΔHf, kcal/mol:

-80.58

Dipole, Da:

3.44

IP(EA), eV:

 -8.56(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-5-[(2-methylpropan-2-yl)oxymethyl]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC(C)(C)OCC1C(=O)N2[C@@H](CC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1

DOS

IR

Vibrations