Geometry & MOs

Info

ID:	89349
PubChem CID:	49960611
Reduced:	ClSN2O2C11H13 (2)
Stoich.:	ABC2D2E11F13 (2)
Weight, g/mol:	326.990297
ΔH_f, kcal/mol:	-121.31
Dipole, Da:	5.65
IP(EA), eV:	-8.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations