Geometry & MOs

Info

ID:	134510
PubChem CID:	51708491
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	507.207944
ΔH_f, kcal/mol:	-95.29
Dipole, Da:	8.18
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4S,6S,7R)-4-(4-methylphenyl)-5-oxo-2-propyl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)N(C)OC)C3=CC=CC=C3OC

DOS

IR

Vibrations