Geometry & MOs

Info

ID:

298103

PubChem CID:

117647533

Reduced:

NH39C52 (1)

Stoich.:

AB39C52 (1)

Weight, g/mol:

529.179435

ΔHf, kcal/mol:

187.79

Dipole, Da:

1.64

IP(EA), eV:

 -8.02(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[deuterio-[(3R,4R)-5-(5-deuterio-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=C(C=C2)C3=CC4=C5C(=C3)C=CC6=CC(=CC(=C65)C4(C)C)C7=CC=CC8=CC=CC=C87)N(C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations