Geometry & MOs

Info

ID:

234332

PubChem CID:

92298197

Reduced:

NBr2O4H17C24 (1)

Stoich.:

AB2C4D17E24 (1)

Weight, g/mol:

578.135902

ΔHf, kcal/mol:

-50.95

Dipole, Da:

6.79

IP(EA), eV:

 -8.99(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2C4=CC=C(C=C4)Br

DOS

IR

Vibrations