Geometry & MOs

Info

ID:	142702
PubChem CID:	53078651
Reduced:	SN4O4H20C23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	418.203862
ΔH_f, kcal/mol:	-12.57
Dipole, Da:	5.14
IP(EA), eV:	-8.47(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NOC(=N2)C3CCC3)NC(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations