Geometry & MOs

Info

ID:	68688
PubChem CID:	46508902
Reduced:	NSF2O7H19C20 (1)
Stoich.:	ABC2D7E19F20 (1)
Weight, g/mol:	461.267842
ΔH_f, kcal/mol:	-310.57
Dipole, Da:	10.71
IP(EA), eV:	-9.47(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations