Geometry & MOs

Info

ID:

215539

PubChem CID:

85084881

Reduced:

N5O21C46H59 (1)

Stoich.:

A5B21C46D59 (1)

Weight, g/mol:

1015.503517

ΔHf, kcal/mol:

-771.62

Dipole, Da:

8.69

IP(EA), eV:

 -8.74(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-(5,6-dihydroxy-4-methoxy-4-methyloxan-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(C(=O)C3=C(C4=C(C=C(C5=C4OC6(C7C5OC(C6(N8C=NC9C8C(=O)NC(N9)N)O)(O7)C(OC)OC)OC1CC(C(C(O1)C)(C(=O)C)O)O)C)C(=C23)OC)O)O)(C)O)OC(=O)C

DOS

IR

Vibrations