Geometry & MOs

Info

ID:	54845
PubChem CID:	17389391
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	384.9442
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	6.33
IP(EA), eV:	-9.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=N/NC2=NC(=O)C(S2)CC(=O)O

DOS

IR

Vibrations