Geometry & MOs

Info

ID:

315174

PubChem CID:

126624780

Reduced:

F6N7C20H25 (1)

Stoich.:

A6B7C20D25 (1)

Weight, g/mol:

625.223625

ΔHf, kcal/mol:

-254.68

Dipole, Da:

4.6

IP(EA), eV:

 -9.09(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-2-(methylphosphanylamino)-4-(4-phenoxy-2-sulfamoylphenoxy)pyridine-3-carboximidamide

Drug info:

PubChemData

Smile

CC(=N/C(=C\N=C)/C1=NC(=NC(=N1)NC2CCC(C2)(F)F)NC3CCC(C3)(F)F)C(C)(F)F

DOS

IR

Vibrations