Geometry & MOs

Info

ID:	86763
PubChem CID:	49888985
Reduced:	ClNSO4H18C23 (1)
Stoich.:	ABCD4E18F23 (1)
Weight, g/mol:	438.080491
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	6.81
IP(EA), eV:	-8.87(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations