Geometry & MOs

Info

ID:	29991
PubChem CID:	838774
Reduced:	ClOS2N3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	256.029107
ΔH_f, kcal/mol:	44.54
Dipole, Da:	1.73
IP(EA), eV:	-8.97(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-2-yl-(4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CC(=CCSC1=NN2C(=O)C3=CC=CC=C3N=C2S1)Cl

DOS

IR

Vibrations