Geometry & MOs

Info

ID:	244073
PubChem CID:	99309620
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	4.38
IP(EA), eV:	-8.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloronaphthalen-1-yl)oxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNC(=O)CN3CCSC3=O

DOS

IR

Vibrations