Geometry & MOs

Info

ID:	8849
PubChem CID:	82490
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	2.35
IP(EA), eV:	-9.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis(furan-2-ylmethyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC(=NCC2=CC=CO2)S

DOS

IR

Vibrations