Geometry & MOs

Info

ID:	144600
PubChem CID:	53387946
Reduced:	SiS2O9C45H50 (1)
Stoich.:	AB2C9D45E50 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-315.68
Dipole, Da:	5.79
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-methylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@H](CC(COC(=O)C2=CC=CC=C2)C=C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OS(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations