Geometry & MOs

Info

ID:	85566
PubChem CID:	49876942
Reduced:	ClSN2O2H22C24 (1)
Stoich.:	ABC2D2E22F24 (1)
Weight, g/mol:	345.023129
ΔH_f, kcal/mol:	22.28
Dipole, Da:	4.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750069
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-chlorophenoxy)ethyl N'-(furan-2-ylmethyl)carbamimidothioate;chloride

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=NC(=C(C(=C23)C4=CC=CO4)C(=O)NC5=CC=CC=C5)C.[Cl-]

DOS

IR

Vibrations