Geometry & MOs

Info

ID:	124045
PubChem CID:	50870922
Reduced:	BrClFNSO3H14C23 (1)
Stoich.:	ABCDEF3G14H23 (1)
Weight, g/mol:	449.015843
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	2.35
IP(EA), eV:	-9.38(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2,6-dimethoxyphenyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=C/3\C(=O)N(C(=O)S3)C4=CC=C(C=C4)Cl)F

DOS

IR

Vibrations