Geometry & MOs

Info

ID:	144241
PubChem CID:	53336738
Reduced:	ClSN5O5C23H30 (1)
Stoich.:	ABC5D5E23F30 (1)
Weight, g/mol:	537.181268
ΔH_f, kcal/mol:	-151.76
Dipole, Da:	8.21
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=NN(C=C3C(=O)N4CCC5(CC4)OCCO5)C

DOS

IR

Vibrations