Geometry & MOs

Info

ID:

215371

PubChem CID:

85084632

Reduced:

N8O11C42H62 (1)

Stoich.:

A8B11C42D62 (1)

Weight, g/mol:

855.549662

ΔHf, kcal/mol:

-524.09

Dipole, Da:

4.6

IP(EA), eV:

 -9.3(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-8-octadecanoyloxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations