Geometry & MOs

Info

ID:

315627

PubChem CID:

126628261

Reduced:

N3O6C17H25 (1)

Stoich.:

A3B6C17D25 (1)

Weight, g/mol:

427.195465

ΔHf, kcal/mol:

-263.92

Dipole, Da:

3.85

IP(EA), eV:

 -9.24(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[1-[(4R,6R,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2,4-dioxopyrimidin-5-yl]methylamino]acetate

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](O[C@H](C2O1)N3C=C(C(=O)NC3=O)CN4CCCC4)CO)C

DOS

IR

Vibrations