Geometry & MOs

Info

ID:	325962
PubChem CID:	126685812
Reduced:	SO2N6H20C22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	54.67
Dipole, Da:	4.72
IP(EA), eV:	-8.74(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[5-[3-[(5-propylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)NC4=NC=CC(=N4)C5=CC=CS5

DOS

IR

Vibrations