Geometry & MOs

Info

ID:	154525
PubChem CID:	56313982
Reduced:	FO3N5H26C28 (1)
Stoich.:	AB3C5D26E28 (1)
Weight, g/mol:	414.193691
ΔH_f, kcal/mol:	6.98
Dipole, Da:	2.8
IP(EA), eV:	-9.27(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CN3CCN(CC3)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations