Geometry & MOs

Info

ID:

52722

PubChem CID:

12015776

Reduced:

NOC7H8 (4)

Stoich.:

ABC7D8 (4)

Weight, g/mol:

752.40954

ΔHf, kcal/mol:

-104.08

Dipole, Da:

10.11

IP(EA), eV:

 -8.9(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-(4-nitrophenyl)acetate

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CNCCN6CCCCC6)O

DOS

IR

Vibrations