Geometry & MOs

Info

ID:

127476

PubChem CID:

51003414

Reduced:

ON8H20C22 (1)

Stoich.:

AB8C20D22 (1)

Weight, g/mol:

830.540495

ΔHf, kcal/mol:

143.18

Dipole, Da:

4.2

IP(EA), eV:

 -8.51(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]-3-(1-naphthalen-2-ylethyl)urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN(N=N2)CCN3C4=NC=NC(=C4C(=N3)C5=CC=CC=C5)N

DOS

IR

Vibrations