Geometry & MOs

Info

ID:	417476
PubChem CID:	135095260
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	4.46
Dipole, Da:	3.22
IP(EA), eV:	-8.96(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C3=NC=NC(=C3C)C

DOS

IR

Vibrations