Geometry & MOs

Info

ID:

336906

PubChem CID:

127255913

Reduced:

NO7C34H35 (1)

Stoich.:

AB7C34D35 (1)

Weight, g/mol:

579.133652

ΔHf, kcal/mol:

-161.07

Dipole, Da:

5.9

IP(EA), eV:

 -9.07(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-nitro-4-[(2S,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxycarbonyloxan-2-yl]oxyphenyl]methyl imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C(C=C34)OC)OC5=C(C=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C6)C

DOS

IR

Vibrations