Geometry & MOs

Info

ID:	136657
PubChem CID:	52078917
Reduced:	SCl2O2N4H16C17 (1)
Stoich.:	AB2C2D4E16F17 (1)
Weight, g/mol:	385.134779
ΔH_f, kcal/mol:	33.62
Dipole, Da:	2.41
IP(EA), eV:	-9.01(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6-trimethyl-N-[2-(4-methylphenyl)sulfonylethyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NON=C1CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl

DOS

IR

Vibrations