Geometry & MOs

Info

ID:

378334

PubChem CID:

134224412

Reduced:

N3H38C58 (2)

Stoich.:

A3B38C58 (2)

Weight, g/mol:

384.076075

ΔHf, kcal/mol:

523.48

Dipole, Da:

0.43

IP(EA), eV:

 -7.95(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[4-fluoro-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-oxo-phenoxyphosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=C7C=CC=C8C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC(=C1)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2N3C2=CC=C(C=C2)C2=CC=C(C=C2)N2C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC=C21

DOS

IR

Vibrations