Geometry & MOs

Info

ID:	291469
PubChem CID:	112572305
Reduced:	IOH2C4N5 (1)
Stoich.:	ABC2D4E5 (1)
Weight, g/mol:	246.04967
ΔH_f, kcal/mol:	124.56
Dipole, Da:	2.03
IP(EA), eV:	-10.32(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

C1=NNN=C1C2=NC(=NO2)I

DOS

IR

Vibrations