Geometry & MOs

Info

ID:

215367

PubChem CID:

85084627

Reduced:

F3O9C48H73 (1)

Stoich.:

A3B9C48D73 (1)

Weight, g/mol:

850.416473

ΔHf, kcal/mol:

-610.09

Dipole, Da:

4.72

IP(EA), eV:

 -9.73(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-chlorophenyl)sulfonyl-3-[3-[11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]urea

Drug info:

PubChemData

Smile

CCCCCCC1CCCC(OCO1)C2CCC(O2)C3CCC(O3)C(CCCCCCCCCCCCC4=CC(OC4=O)C)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC

DOS

IR

Vibrations