Geometry & MOs

Info

ID:

180347

PubChem CID:

76618202

Reduced:

N3O8C31H45 (1)

Stoich.:

A3B8C31D45 (1)

Weight, g/mol:

588.32849

ΔHf, kcal/mol:

-308.05

Dipole, Da:

5.37

IP(EA), eV:

 -8.72(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(9-carbamoyloxy-13,20-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-19-yl)-prop-2-enylazanium

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(C(=C(C1)C2=O)NCC=C)O)C)OC)OC(=O)N)C)C)O)OC

DOS

IR

Vibrations