Geometry & MOs

Info

ID:	46847
PubChem CID:	10527810
Reduced:	SiN2O3C26H40 (1)
Stoich.:	AB2C3D26E40 (1)
Weight, g/mol:	457.163771
ΔH_f, kcal/mol:	-160.47
Dipole, Da:	1.78
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(benzylamino)ethyl]-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2CCO)C3=C4C=C(C=CC4=NC=C3)OC

DOS

IR

Vibrations