Geometry & MOs

Info

ID:

234341

PubChem CID:

92298215

Reduced:

N3O6H31C32 (1)

Stoich.:

A3B6C31D32 (1)

Weight, g/mol:

571.00488

ΔHf, kcal/mol:

-90.28

Dipole, Da:

9.06

IP(EA), eV:

 -8.5(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(NC3=C([C@@H]2C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C[C@@H](C3)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations