Geometry & MOs

Info

ID:	32065
PubChem CID:	4265946
Reduced:	ON2C14H21 (2)
Stoich.:	AB2C14D21 (2)
Weight, g/mol:	539.099178
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	5.18
IP(EA), eV:	-8.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-chloro-4-[3-(3,5-dimethylphenoxy)propoxy]-5-methoxyphenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C(C)C)C(=O)CCC3CCCC3)C

DOS

IR

Vibrations