Geometry & MOs

Info

ID:	162762
PubChem CID:	57566894
Reduced:	SN3O6H23C25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	-124.37
Dipole, Da:	3.28
IP(EA), eV:	-9.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4R)-4-(3-cyclopentyloxy-4-methylphenyl)-2-oxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OC2=C(C=CC(=C2)[C@H]3CC(=O)N(C3)C4=CC=C(C=C4)S(=O)(=O)N)C#N

DOS

IR

Vibrations