Geometry & MOs

Info

ID:

215234

PubChem CID:

85084407

Reduced:

PSO9N12C28H57 (1)

Stoich.:

ABC9D12E28F57 (1)

Weight, g/mol:

770.414231

ΔHf, kcal/mol:

-508.77

Dipole, Da:

8.41

IP(EA), eV:

 -8.98(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-16-morpholin-4-yl-19-(4-morpholin-4-yl-4-oxobut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraene-14,18-dione

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)OP(=S)(O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N

DOS

IR

Vibrations