Geometry & MOs

Info

ID:	167907
PubChem CID:	74894170
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	337.04425
ΔH_f, kcal/mol:	-143.32
Dipole, Da:	3.18
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(N2)C3CC=CCC3C(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations