Geometry & MOs

Info

ID:	39635
PubChem CID:	8141709
Reduced:	ClOSN4H11C17 (1)
Stoich.:	ABCD4E11F17 (1)
Weight, g/mol:	414.11619
ΔH_f, kcal/mol:	80.24
Dipole, Da:	4.28
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

DOS

IR

Vibrations