Geometry & MOs

Info

ID:	29459
PubChem CID:	833930
Reduced:	ClNO2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	4.5
IP(EA), eV:	-9.5(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethyl-6-methylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)O2

DOS

IR

Vibrations