Geometry & MOs

Info

ID:	418607
PubChem CID:	135106186
Reduced:	FSO2N3C19H22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	325.076179
ΔH_f, kcal/mol:	-83.47
Dipole, Da:	5.99
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[2-(2,3-difluorophenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations