Geometry & MOs

Info

ID:

163273

PubChem CID:

57684132

Reduced:

N2H40C53 (1)

Stoich.:

A2B40C53 (1)

Weight, g/mol:

603.102088

ΔHf, kcal/mol:

212.72

Dipole, Da:

1.29

IP(EA), eV:

 -7.79(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(2R,3R,4R,5R)-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyloxymethyl acetate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC3=CC(=C4C=CC=C1C4=C32)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations