Geometry & MOs

Info

ID:	357227
PubChem CID:	127293731
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	5.11
IP(EA), eV:	-9.17(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations