Geometry & MOs

Info

ID:	305887
PubChem CID:	124972747
Reduced:	S2N3O6C26H29 (1)
Stoich.:	A2B3C6D26E29 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-191.17
Dipole, Da:	12.01
IP(EA), eV:	-8.96(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)CC4=C(SC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations