Geometry & MOs

Info

ID:

170025

PubChem CID:

75184204

Reduced:

S2N3O4H19C24 (1)

Stoich.:

A2B3C4D19E24 (1)

Weight, g/mol:

653.377512

ΔHf, kcal/mol:

-50.86

Dipole, Da:

5.2

IP(EA), eV:

 -9.29(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7,10-dihydroxy-2-[5-[3-[3-(3-methoxypentan-2-yl)oxiran-2-yl]-2-methylmorpholin-2-yl]penta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate;formic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C(=O)O)SC2=O)S

DOS

IR

Vibrations