Geometry & MOs

Info

ID:

8953

PubChem CID:

83978

Reduced:

SN3O15C45H77 (1)

Stoich.:

AB3C15D45E77 (1)

Weight, g/mol:

931.50754

ΔHf, kcal/mol:

-711.51

Dipole, Da:

7.73

IP(EA), eV:

 -8.63(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[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]sulfamoyl]phenyl]acetamide

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)NC(=O)C)C)O)(C)O

DOS

IR

Vibrations