Geometry & MOs

Info

ID:

785

PubChem CID:

3353

Reduced:

N2O14C51H76 (1)

Stoich.:

A2B14C51D76 (1)

Weight, g/mol:

940.529655

ΔHf, kcal/mol:

-619.61

Dipole, Da:

4.77

IP(EA), eV:

 -9.57(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-17-yl]ethyl N-benzylcarbamate

Drug info:

PubChemData

Smile

CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CCOC(=O)NCC4=CC=CC=C4)O)C)C(=CC5CCC(C(C5)OC)O)C)O)C)OC)OC

DOS

IR

Vibrations