Geometry & MOs

Info

ID:	123328
PubChem CID:	50842510
Reduced:	ClS2N3O4H18C19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	413.130633
ΔH_f, kcal/mol:	-57.16
Dipole, Da:	9.65
IP(EA), eV:	-8.86(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(S2)/C=C/C3=C(C(=NO3)C)NC(=O)C)Cl

DOS

IR

Vibrations