Geometry & MOs

Info

ID:

184425

PubChem CID:

77159686

Reduced:

BrN2F3O3H16C20 (1)

Stoich.:

AB2C3D3E16F20 (1)

Weight, g/mol:

479.160497

ΔHf, kcal/mol:

-188.8

Dipole, Da:

3.54

IP(EA), eV:

 -9.46(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-N-(2-cyanoethyl)-6-[(4-fluorophenyl)methyl]-10-hydroxy-3-N,3-dimethyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-3,11-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1NC(=O)OC(C)C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)Br

DOS

IR

Vibrations