Geometry & MOs

Info

ID:	87377
PubChem CID:	49894344
Reduced:	ClFSN3O3H19C27 (1)
Stoich.:	ABCD3E3F19G27 (1)
Weight, g/mol:	647.96188
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	10.53
IP(EA), eV:	-8.78(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=C(C=CC=C5Cl)F)/SC2=O

DOS

IR

Vibrations