Geometry & MOs

Info

ID:

1786

PubChem CID:

5049

Reduced:

N2O9C30H34 (1)

Stoich.:

A2B9C30D34 (1)

Weight, g/mol:

566.226431

ΔHf, kcal/mol:

-277.3

Dipole, Da:

5.84

IP(EA), eV:

 -8.8(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OCC1C2=C(CC3N1C(C4CC5=C(C3N4C)C(=O)C(=C(C5=O)C)OC)O)C(=O)C(=C(C2=O)OC)C

DOS

IR

Vibrations