Geometry & MOs

Info

ID:	154988
PubChem CID:	56314548
Reduced:	OSN6H22C23 (1)
Stoich.:	ABC6D22E23 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	107.27
Dipole, Da:	6.0
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CSC(=N3)C4=CN(N=C4)C5=CC=CC=C5

DOS

IR

Vibrations