Geometry & MOs

Info

ID:	173390
PubChem CID:	75633244
Reduced:	O2N3C27H29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	488.117271
ΔH_f, kcal/mol:	-15.58
Dipole, Da:	4.45
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-chloro-6-ethoxy-4-[(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=NNC(=O)CCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C)C

DOS

IR

Vibrations