Geometry & MOs

Info

ID:

323756

PubChem CID:

126676019

Reduced:

O2N3C23H27 (1)

Stoich.:

A2B3C23D27 (1)

Weight, g/mol:

557.132994

ΔHf, kcal/mol:

3.36

Dipole, Da:

6.94

IP(EA), eV:

 -8.51(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-(3-methylphenoxy)phosphoryl]amino]but-3-enoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C#CC2NC3=C(CN(CC3)C4CC(C4)C(=O)O)C=N2

DOS

IR

Vibrations