Geometry & MOs

Info

ID:	38066
PubChem CID:	8026737
Reduced:	S2O3N4C19H26 (1)
Stoich.:	A2B3C4D19E26 (1)
Weight, g/mol:	340.077869
ΔH_f, kcal/mol:	-101.92
Dipole, Da:	8.63
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-cyclopropylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N[C@]4(CCS(=O)(=O)C4)C)C

DOS

IR

Vibrations