Geometry & MOs

Info

ID:

88317

PubChem CID:

49902900

Reduced:

BrSN2O4H21C26 (1)

Stoich.:

ABC2D4E21F26 (1)

Weight, g/mol:

536.128504

ΔHf, kcal/mol:

-76.96

Dipole, Da:

2.43

IP(EA), eV:

 -8.84(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(3-chlorophenyl)methyl]-5-[[2,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations