Geometry & MOs

Info

ID:	38011
PubChem CID:	8026364
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-54.78
Dipole, Da:	3.18
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)N)SCC(=O)N2CCC3=CC=CC=C3C2)C

DOS

IR

Vibrations