Geometry & MOs

Info

ID:	76298
PubChem CID:	48424751
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	6.97
IP(EA), eV:	-8.33(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=CC(=C(C=C2CC1)OC)OC)OCC3CC3

DOS

IR

Vibrations