Geometry & MOs

Info

ID:

87969

PubChem CID:

49899166

Reduced:

ClSN3O4H20C27 (1)

Stoich.:

ABC3D4E20F27 (1)

Weight, g/mol:

472.101227

ΔHf, kcal/mol:

1.85

Dipole, Da:

2.25

IP(EA), eV:

 -8.95(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations