Geometry & MOs

Info

ID:	420171
PubChem CID:	135111644
Reduced:	SN2O6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	358.0965
ΔH_f, kcal/mol:	-214.03
Dipole, Da:	7.15
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(6-fluoro-2-methylquinoline-4-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CN=C(O2)C)S(=O)(=O)N3CC[C@@H]([C@H](C3)C(=O)O)O

DOS

IR

Vibrations