Geometry & MOs

Info

ID:

164281

PubChem CID:

74382703

Reduced:

FCl2N3O7C28H36 (1)

Stoich.:

AB2C3D7E28F36 (1)

Weight, g/mol:

560.230267

ΔHf, kcal/mol:

-348.22

Dipole, Da:

5.87

IP(EA), eV:

 -8.56(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-[4-(5-cyclopropylpyrimidin-2-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCC(=O)NCC(=O)NC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)F)N(CCCl)CCCl

DOS

IR

Vibrations