Geometry & MOs

Info

ID:

322609

PubChem CID:

126670645

Reduced:

BrO3N7C29H30 (1)

Stoich.:

AB3C7D29E30 (1)

Weight, g/mol:

430.145948

ΔHf, kcal/mol:

-15.34

Dipole, Da:

6.22

IP(EA), eV:

 -9.07(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S,5R)-3-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H]([C@@H]1C)C(=O)NC2=C(C=CC(=N2)Br)C)C(=O)CN3C4=C(C=C(C=C4)C5=CN=C(N=C5)C)C(=N3)C(=O)C

DOS

IR

Vibrations