Geometry & MOs

Info

ID:	415192
PubChem CID:	135088183
Reduced:	SN7C14H21 (1)
Stoich.:	AB7C14D21 (1)
Weight, g/mol:	327.030978
ΔH_f, kcal/mol:	69.37
Dipole, Da:	3.25
IP(EA), eV:	-8.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(CCCC2)C(=N1)NCCC3=NN=C(S3)N

DOS

IR

Vibrations