Geometry & MOs

Info

ID:	88380
PubChem CID:	49903097
Reduced:	BrClSN2O2H20C27 (1)
Stoich.:	ABCD2E2F20G27 (1)
Weight, g/mol:	492.091056
ΔH_f, kcal/mol:	5.31
Dipole, Da:	5.33
IP(EA), eV:	-8.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Br

DOS

IR

Vibrations