Geometry & MOs

Info

ID:	165298
PubChem CID:	74528979
Reduced:	SN2O6H20C21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	474.055543
ΔH_f, kcal/mol:	-146.28
Dipole, Da:	6.98
IP(EA), eV:	-8.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[[3-[(4-methoxybenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3)OCCC(=O)O)OC)S2

DOS

IR

Vibrations