Geometry & MOs

Info

ID:

324005

PubChem CID:

126676750

Reduced:

N3C9H11 (3)

Stoich.:

A3B9C11 (3)

Weight, g/mol:

627.01843

ΔHf, kcal/mol:

138.69

Dipole, Da:

6.0

IP(EA), eV:

 -8.23(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-(4-fluorophenoxy)phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1CN(C(CN1)CC2=CC=CC=C2)C3=CC=CC(=C3)CN4C=C(C=N4)CC5=CC(=NC(=C5N)NN)N

DOS

IR

Vibrations