Geometry & MOs

Info

ID:

227594

PubChem CID:

87562061

Reduced:

O3N4F13C45H45 (1)

Stoich.:

A3B4C13D45E45 (1)

Weight, g/mol:

356.13697

ΔHf, kcal/mol:

-711.8

Dipole, Da:

8.33

IP(EA), eV:

 -7.82(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-bromopropyl-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid;1,2-dimethoxyethane

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)NC2(CCCN(C2)C)C3=CC=CC=C3.CN1CCCC(C1)(C2=CC=C(C=C2)F)NC(=O)C3=C(C=C(C=C3OC)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations