Geometry & MOs

Info

ID:

334433

PubChem CID:

127252985

Reduced:

SN4O8C36H38 (1)

Stoich.:

AB4C8D36E38 (1)

Weight, g/mol:

569.146801

ΔHf, kcal/mol:

-109.13

Dipole, Da:

1.84

IP(EA), eV:

 -8.3(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]-N-methylsulfonylanilino]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations