Geometry & MOs

Info

ID:

395130

PubChem CID:

135024705

Reduced:

Cl2O3N4C26H26 (1)

Stoich.:

A2B3C4D26E26 (1)

Weight, g/mol:

462.206719

ΔHf, kcal/mol:

-97.58

Dipole, Da:

2.56

IP(EA), eV:

 -8.78(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-2-[(2R,8S)-2-(4-fluorophenyl)-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

CC(C)(C)NC(=O)CN1CC(=O)N2[C@H](C1=O)CC3=C([C@H]2C4=CC(=C(C=C4)Cl)Cl)NC5=CC=CC=C35

DOS

IR

Vibrations