Geometry & MOs

Info

ID:

335048

PubChem CID:

127253854

Reduced:

SN4O8C37H46 (1)

Stoich.:

AB4C8D37E46 (1)

Weight, g/mol:

495.06965

ΔHf, kcal/mol:

-138.01

Dipole, Da:

6.95

IP(EA), eV:

 -8.25(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,2'Z,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-2'-[(3,4,5-trifluoroanilino)methylidene]spiro[1-benzofuran-2,4'-cyclohexane]-1',3,3'-trione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCS2(=O)=O)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations