Geometry & MOs

Info

ID:	81616
PubChem CID:	49854927
Reduced:	Cl2N3O4C30H39 (1)
Stoich.:	A2B3C4D30E39 (1)
Weight, g/mol:	697.409086
ΔH_f, kcal/mol:	-171.65
Dipole, Da:	6.91
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-2-oxo-1-[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]ethyl] tetradecanoate

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations