Geometry & MOs

Info

ID:	87478
PubChem CID:	49894886
Reduced:	BrSN2O2H21C24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	429.103479
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	6.45
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)Br)C)/SC2=O

DOS

IR

Vibrations