Geometry & MOs

Info

ID:	128675
PubChem CID:	51053759
Reduced:	FN2S2O3C16H17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-130.0
Dipole, Da:	3.67
IP(EA), eV:	-8.65(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)F)C(=O)N[C@@H](CCSC)C(=O)O

DOS

IR

Vibrations