Geometry & MOs

Info

ID:	34171
PubChem CID:	7890152
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	397.163771
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	2.97
IP(EA), eV:	-8.5(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)OC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations