Geometry & MOs

Info

ID:	124831
PubChem CID:	50897731
Reduced:	ON3C18H33 (1)
Stoich.:	AB3C18D33 (1)
Weight, g/mol:	429.09139
ΔH_f, kcal/mol:	-45.35
Dipole, Da:	2.31
IP(EA), eV:	-8.52(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-chloro-2-methylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@H]2N3CCC(CC3)N4CCN(CC4)CCO

DOS

IR

Vibrations