Geometry & MOs

Info

ID:	88438
PubChem CID:	49903536
Reduced:	BrNSCl2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	536.04054
ΔH_f, kcal/mol:	-84.44
Dipole, Da:	4.41
IP(EA), eV:	-8.74(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations