Geometry & MOs

Info

ID:	88192
PubChem CID:	49902246
Reduced:	BrClNSO3H17C24 (1)
Stoich.:	ABCDE3F17G24 (1)
Weight, g/mol:	648.90555
ΔH_f, kcal/mol:	-37.09
Dipole, Da:	6.34
IP(EA), eV:	-9.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 2-iodobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations