Geometry & MOs

Info

ID:	87683
PubChem CID:	49896501
Reduced:	NSO4H21C26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	604.99245
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	6.15
IP(EA), eV:	-9.24(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)C)/SC2=O

DOS

IR

Vibrations