Geometry & MOs

Info

ID:	449916
PubChem CID:	135302513
Reduced:	SO3N4H26C29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	23.11
Dipole, Da:	4.49
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[3-(4-methoxyphenyl)benzoyl]piperazin-1-yl]-2-phenylacetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=NC=CO6

DOS

IR

Vibrations