Geometry & MOs

Info

ID:	417662
PubChem CID:	135102402
Reduced:	SO4N5C16H21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	353.069782
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	4.7
IP(EA), eV:	-9.53(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=NN2)C3=CC=CC=N3

DOS

IR

Vibrations