Geometry & MOs

Info

ID:

44544

PubChem CID:

10503972

Reduced:

ClNSO2C26H30 (1)

Stoich.:

ABCD2E26F30 (1)

Weight, g/mol:

456.120252

ΔHf, kcal/mol:

-39.83

Dipole, Da:

4.75

IP(EA), eV:

 -8.48(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-3,4-dihydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C([C@@H]1C[C@H](C3=CC(=C(C=C23)OC)OC)C#N)(C)C)SC4=CC=C(C=C4)Cl

DOS

IR

Vibrations