Geometry & MOs

Info

ID:	418282
PubChem CID:	135104066
Reduced:	ClFN2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	3.3
IP(EA), eV:	-8.69(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations