Geometry & MOs

Info

ID:	162759
PubChem CID:	57566872
Reduced:	SN2O6C30H34 (1)
Stoich.:	AB2C6D30E34 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-186.69
Dipole, Da:	7.01
IP(EA), eV:	-8.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-isocyanophenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CC(CC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4)NS(=O)(=O)C5=CC=CC(=C5)OC

DOS

IR

Vibrations