Geometry & MOs

Info

ID:	318949
PubChem CID:	126653835
Reduced:	BrOF2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-125.26
Dipole, Da:	1.95
IP(EA), eV:	-9.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-benzyl 3-O-tert-butyl (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2C[C@@](CN2)(CF)F

DOS

IR

Vibrations