Geometry & MOs

Info

ID:	174745
PubChem CID:	75808816
Reduced:	N2S2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	364.117155
ΔH_f, kcal/mol:	-102.75
Dipole, Da:	13.98
IP(EA), eV:	-9.69(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-carbamoylanilino)-2-oxoethyl]-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CC=C2)S(=O)(=O)N(C3CC3)C4CCS(=O)(=O)C4)N=C1

DOS

IR

Vibrations