Geometry & MOs

Info

ID:	144238
PubChem CID:	53336672
Reduced:	ClSO4N6C21H27 (1)
Stoich.:	ABC4D6E21F27 (1)
Weight, g/mol:	534.217988
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	11.3
IP(EA), eV:	-8.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations