Geometry & MOs

Info

ID:	198780
PubChem CID:	79149440
Reduced:	ClNSH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	310.017891
ΔH_f, kcal/mol:	54.62
Dipole, Da:	3.91
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-amino-3-chlorophenyl)sulfanylacetyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C#CCSC1=CC(=C(C=C1)N)Cl

DOS

IR

Vibrations