Geometry & MOs

Info

ID:	356617
PubChem CID:	127291843
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	392.108916
ΔH_f, kcal/mol:	-90.45
Dipole, Da:	5.73
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]sulfonyl-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations