Geometry & MOs

Info

ID:	16275
PubChem CID:	463242
Reduced:	OS2N3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	253.034354
ΔH_f, kcal/mol:	42.96
Dipole, Da:	1.65
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(furan-2-yl)ethyl]-N-(1,3-thiazol-2-yl)carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CCN=C(NC2=NC=CS2)S

DOS

IR

Vibrations