Geometry & MOs

Info

ID:	132568
PubChem CID:	51379945
Reduced:	SO2N5C22H35 (1)
Stoich.:	AB2C5D22E35 (1)
Weight, g/mol:	305.001034
ΔH_f, kcal/mol:	-79.67
Dipole, Da:	3.72
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2,4-dichlorophenyl)iminomethyl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=NN=C2N1C3CCCCC3C(=O)N2CC4CCCCC4

DOS

IR

Vibrations