Geometry & MOs

Info

ID:	31062
PubChem CID:	854337
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	343.158372
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	1.77
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2N[C@@H](CS2)C(=O)O)O

DOS

IR

Vibrations