Geometry & MOs

Info

ID:

395129

PubChem CID:

135024704

Reduced:

O2H9C13 (2)

Stoich.:

A2B9C13 (2)

Weight, g/mol:

512.138196

ΔHf, kcal/mol:

-60.22

Dipole, Da:

1.25

IP(EA), eV:

 -8.7(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-2-[(2R,8S)-2-(3,4-dichlorophenyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)C3=CC(=C(C=C3)O)C=O)C4=CC(=C(C=C4)O)C=O

DOS

IR

Vibrations