Geometry & MOs

Info

ID:	196454
PubChem CID:	78831634
Reduced:	SN4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	356.176979
ΔH_f, kcal/mol:	104.38
Dipole, Da:	7.92
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylsulfonylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCNC3=NC=C(C=C3)C#N

DOS

IR

Vibrations