Geometry & MOs

Info

ID:

177672

PubChem CID:

76212366

Reduced:

ClSN2O5C22H23 (1)

Stoich.:

ABC2D5E22F23 (1)

Weight, g/mol:

545.189711

ΔHf, kcal/mol:

-186.98

Dipole, Da:

7.51

IP(EA), eV:

 -9.19(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-(3-ethoxycarbonyl-4-hydroxy-8-methyl-2-oxochromen-7-yl)oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1C(=O)NC3=CC(=CC=C3)Cl)NC(=O)C(C2O)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations