Geometry & MOs

Info

ID:

9144

PubChem CID:

86491

Reduced:

SN2O14C44H76 (1)

Stoich.:

AB2C14D44E76 (1)

Weight, g/mol:

888.501726

ΔHf, kcal/mol:

-657.79

Dipole, Da:

5.87

IP(EA), eV:

 -9.19(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1C(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)NS(=O)(=O)C4=CC=C(C=C4)C)C)O)(C)O

DOS

IR

Vibrations