Geometry & MOs

Info

ID:	81133
PubChem CID:	49854386
Reduced:	SN5O6C27H31 (1)
Stoich.:	AB5C6D27E31 (1)
Weight, g/mol:	669.414172
ΔH_f, kcal/mol:	-188.99
Dipole, Da:	8.34
IP(EA), eV:	-8.76(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]methyl pentadecyl carbonate

Drug info:

PubChemData

Smile

CCOC(=O)CCCNC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations