Geometry & MOs

Info

ID:

220060

PubChem CID:

85165197

Reduced:

N2Si2O7C32H62 (1)

Stoich.:

A2B2C7D32E62 (1)

Weight, g/mol:

642.162975

ΔHf, kcal/mol:

-513.11

Dipole, Da:

0.76

IP(EA), eV:

 -8.8(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-dibenzoyloxy-5-[8-chloro-6-(dimethylamino)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl]oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CCC1C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2CCC(=O)N2C(=O)OC(C)(C)C

DOS

IR

Vibrations