Geometry & MOs

Info

ID:	87419
PubChem CID:	49894529
Reduced:	NSO4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	507.01399
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	1.57
IP(EA), eV:	-9.38(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/SC2=O

DOS

IR

Vibrations