Geometry & MOs

Info

ID:	171066
PubChem CID:	75321653
Reduced:	ClNSO4H18C25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	486.197714
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	1.89
IP(EA), eV:	-9.33(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(diethylamino)-2-phenylmethoxyphenyl]methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl)SC2=O

DOS

IR

Vibrations