Geometry & MOs

Info

ID:

380238

PubChem CID:

134970617

Reduced:

FN4O7H19C25 (1)

Stoich.:

AB4C7D19E25 (1)

Weight, g/mol:

609.234725

ΔHf, kcal/mol:

-247.03

Dipole, Da:

10.2

IP(EA), eV:

 -9.89(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-[2-[[2-(pyrrolidine-1-carbonyl)benzoyl]amino]ethoxy]propyl]-2-(hydrazinecarbonyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(N3C=C(C(=O)NC3=O)F)OCCN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations