Geometry & MOs

Info

ID:	87383
PubChem CID:	49894382
Reduced:	NSCl2O3H15C22 (1)
Stoich.:	ABC2D3E15F22 (1)
Weight, g/mol:	473.129694
ΔH_f, kcal/mol:	-49.97
Dipole, Da:	0.71
IP(EA), eV:	-9.08(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)/SC2=O

DOS

IR

Vibrations