Geometry & MOs

Info

ID:	318755
PubChem CID:	126653041
Reduced:	ClNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	409.098394
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	4.59
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methoxy-5-[2-(4-methylphenyl)sulfonylisoindol-1-yl]furan-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=CC(=C2C3=CC(=C(O3)C(=O)C)OC)Cl

DOS

IR

Vibrations