Geometry & MOs

Info

ID:	63747
PubChem CID:	26759082
Reduced:	SN4O6C22H30 (1)
Stoich.:	AB4C6D22E30 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-250.01
Dipole, Da:	12.5
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

DOS

IR

Vibrations