Geometry & MOs

Info

ID:	420769
PubChem CID:	135114785
Reduced:	SF2N3O3C18H27 (1)
Stoich.:	AB2C3D3E18F27 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	-198.12
Dipole, Da:	3.91
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC2CCN(CC2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations