Geometry & MOs

Info

ID:

308523

PubChem CID:

125333370

Reduced:

N2O5C25H26 (1)

Stoich.:

A2B5C25D26 (1)

Weight, g/mol:

574.201634

ΔHf, kcal/mol:

-117.24

Dipole, Da:

3.03

IP(EA), eV:

 -8.49(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-[(9S,10R,15R)-10-(4-methoxyphenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7-tetraen-13-yl]benzamide

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2)CC3=C(C(=O)N=N3)[C@@H](CC(=O)OC)C4=CC(=CC=C4)O)C

DOS

IR

Vibrations