Geometry & MOs

Info

ID:

180592

PubChem CID:

76658786

Reduced:

N2O13C48H72 (1)

Stoich.:

A2B13C48D72 (1)

Weight, g/mol:

862.51909

ΔHf, kcal/mol:

-590.64

Dipole, Da:

6.65

IP(EA), eV:

 -8.24(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(2-benzylimino-1,6-dimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]oxazol-4-yl)oxy]-15-ethyl-13,14-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,7,9,12,14-hexamethyl-oxacyclopentadecane-2,11-dione

Drug info:

PubChemData

Smile

CCC1C(C(C(CC(=O)C(CC(CC(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)(OC)OC3C4C(CC(O3)C)N(C(=NC5=CC=CC6=CC=CC=C65)O4)C)C)C)O)(C)O

DOS

IR

Vibrations