Geometry & MOs

Info

ID:	353244
PubChem CID:	127284424
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	389.125467
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	4.52
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CC1C2=C(SC=C2)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations