Geometry & MOs

Info

ID:

186109

PubChem CID:

77391284

Reduced:

F3O3N6H27C28 (1)

Stoich.:

A3B3C6D27E28 (1)

Weight, g/mol:

768.238904

ΔHf, kcal/mol:

-179.23

Dipole, Da:

3.92

IP(EA), eV:

 -8.86(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5-diacetyloxy-6-[2-acetyloxy-3-[4-(4-fluorophenyl)triazol-1-yl]cyclohexyl]sulfanyl-4-[4-(4-fluorophenyl)triazol-1-yl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC3=NC=C(N3N=C2)C4=CC(=CC=C4)NC(=O)NCC(F)(F)F)C(=O)NC5CCOC5

DOS

IR

Vibrations