Geometry & MOs

Info

ID:

186110

PubChem CID:

77391285

Reduced:

SF2N6O9C36H38 (1)

Stoich.:

AB2C6D9E36F38 (1)

Weight, g/mol:

768.238904

ΔHf, kcal/mol:

-351.16

Dipole, Da:

7.92

IP(EA), eV:

 -9.07(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SC2CCCC(C2OC(=O)C)N3C=C(N=N3)C4=CC=C(C=C4)F)OC(=O)C)N5C=C(N=N5)C6=CC=C(C=C6)F)OC(=O)C

DOS

IR

Vibrations