Geometry & MOs

Info

ID:	329764
PubChem CID:	127246631
Reduced:	ClSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-32.74
Dipole, Da:	4.74
IP(EA), eV:	-9.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations