Geometry & MOs

Info

ID:	235850
PubChem CID:	92710863
Reduced:	SO3N4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	489.240976
ΔH_f, kcal/mol:	-94.37
Dipole, Da:	7.81
IP(EA), eV:	-9.37(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)N2CC[C@@H](C2)C3=CC=CC=C3)C)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations