Geometry & MOs

Info

ID:	87721
PubChem CID:	49896786
Reduced:	BrNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	618.97172
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	2.01
IP(EA), eV:	-9.29(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-iodo-6-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=C(C=C4)Br)/SC2=O

DOS

IR

Vibrations