Geometry & MOs

Info

ID:

17704

PubChem CID:

513586

Reduced:

SN4O15C46H50 (1)

Stoich.:

AB4C15D46E50 (1)

Weight, g/mol:

930.299338

ΔHf, kcal/mol:

-497.5

Dipole, Da:

2.14

IP(EA), eV:

 -9.33(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] N-[[(4R,6R)-4-(3,5-dioxo-1,2,4-triazin-2-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonyl]carbamate

Drug info:

PubChemData

Smile

CC1(OC2[C@H](O[C@H](C2O1)N3C(=O)NC(=O)C=N3)COS(=O)(=O)NC(=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)C

DOS

IR

Vibrations