Geometry & MOs

Info

ID:	304393
PubChem CID:	124577158
Reduced:	BrNO3C10H20 (1)
Stoich.:	ABC3D10E20 (1)
Weight, g/mol:	359.076219
ΔH_f, kcal/mol:	-167.91
Dipole, Da:	0.93
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4S)-2-[(3-ethoxyphenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-iminothiolan-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C[C@H](COC)Br

DOS

IR

Vibrations