Geometry & MOs

Info

ID:	422834
PubChem CID:	135118489
Reduced:	FSN3O5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	-183.03
Dipole, Da:	4.25
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-chloro-2-methylquinolin-4-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CN(C3=CC(=CC=C3)F)S(=O)(=O)C

DOS

IR

Vibrations