Geometry & MOs

Info

ID:	133055
PubChem CID:	51468587
Reduced:	O4N6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	455.149951
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	2.64
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl (4S,7S)-7-(2-chlorophenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4

DOS

IR

Vibrations