Geometry & MOs

Info

ID:	88306
PubChem CID:	49902866
Reduced:	BrNSCl2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	638.9171
ΔH_f, kcal/mol:	-78.17
Dipole, Da:	2.73
IP(EA), eV:	-9.49(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Cl)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations