Geometry & MOs

Info

ID:	352227
PubChem CID:	127283309
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	3.27
IP(EA), eV:	-9.57(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxypyrimidin-2-yl)-N-(5-oxo-1-phenylpyrrolidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=CC(=C2)CNC(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations