Geometry & MOs

Info

ID:	144240
PubChem CID:	53336737
Reduced:	ClSO3N5C25H28 (1)
Stoich.:	ABC3D5E25F28 (1)
Weight, g/mol:	523.165618
ΔH_f, kcal/mol:	-38.48
Dipole, Da:	8.58
IP(EA), eV:	-8.91(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=NN(C=C3C(=O)N4CCC5=CC=CC=C5C4)C

DOS

IR

Vibrations