Geometry & MOs

Info

ID:	415571
PubChem CID:	135088567
Reduced:	FN3O5C33H36 (1)
Stoich.:	AB3C5D33E36 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-198.27
Dipole, Da:	8.33
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)CC4CCC5=CC=CC=C45

DOS

IR

Vibrations