Geometry & MOs

Info

ID:

193361

PubChem CID:

78381405

Reduced:

N10O16C63H76 (1)

Stoich.:

A10B16C63D76 (1)

Weight, g/mol:

465.138344

ΔHf, kcal/mol:

-455.21

Dipole, Da:

3.08

IP(EA), eV:

 -8.9(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-2-(acetyloxymethyl)-5-(4-amino-2-oxopyrimidin-1-yl)-3-ethynyloxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1C(C2=CC=C(C=C2)OC3=CC4=CC(=C3O)OC5=CC=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C(NC1=O)CC(=O)N)O)C(=O)NCCCCCCCCCCN)O)O)NC

DOS

IR

Vibrations