Geometry & MOs

Info

ID:	235849
PubChem CID:	92710861
Reduced:	SO3N4C22H32 (1)
Stoich.:	AB3C4D22E32 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-111.04
Dipole, Da:	6.99
IP(EA), eV:	-9.41(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-1-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)N[C@H](C)CCC2=CC=CC=C2)C)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations