Geometry & MOs

Info

ID:	420374
PubChem CID:	135112795
Reduced:	NSO6C16H23 (1)
Stoich.:	ABC6D16E23 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-249.82
Dipole, Da:	3.88
IP(EA), eV:	-9.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-4-[[5-(morpholine-4-carbonyl)pyridin-2-yl]amino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)S(=O)(=O)C2=CC=CC=C2OC)C(=O)O

DOS

IR

Vibrations