Geometry & MOs

Info

ID:	419020
PubChem CID:	135107356
Reduced:	S2N4O5C14H20 (1)
Stoich.:	A2B4C5D14E20 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-157.36
Dipole, Da:	5.0
IP(EA), eV:	-9.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)C2=CC3=C(C=C2)N=CN3

DOS

IR

Vibrations