Geometry & MOs

Info

ID:	422115
PubChem CID:	135117229
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-88.52
Dipole, Da:	8.82
IP(EA), eV:	-9.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations