Geometry & MOs

Info

ID:

227534

PubChem CID:

87561941

Reduced:

BrF5N5O5H29C35 (1)

Stoich.:

AB5C5D5E29F35 (1)

Weight, g/mol:

498.9977

ΔHf, kcal/mol:

-348.38

Dipole, Da:

7.67

IP(EA), eV:

 -8.53(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-chloro-1-benzothiophen-3-yl)-N-(3-chloro-2-fluorophenyl)-N-ethenyl-2-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC3=NC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OC(O7)(F)F.Br

DOS

IR

Vibrations