Geometry & MOs

Info

ID:

163838

PubChem CID:

74380531

Reduced:

N2O13C43H76 (1)

Stoich.:

A2B13C43D76 (1)

Weight, g/mol:

788.539826

ΔHf, kcal/mol:

-619.4

Dipole, Da:

4.77

IP(EA), eV:

 -8.49(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,6,8,12,16,19-heptamethyl-10,14-dioxa-1-azabicyclo[11.4.2]nonadecan-9-one

Drug info:

PubChemData

Smile

CCC1C(C2C(CN(CC(=C)CO2)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)C)(C)O)C)C)(C)O

DOS

IR

Vibrations