Geometry & MOs

Info

ID:	417275
PubChem CID:	135091902
Reduced:	SN5O6C27H41 (1)
Stoich.:	AB5C6D27E41 (1)
Weight, g/mol:	311.060529
ΔH_f, kcal/mol:	-256.96
Dipole, Da:	4.47
IP(EA), eV:	-8.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)COC)CC2=CC=CC=C2

DOS

IR

Vibrations