Geometry & MOs

Info

ID:	82228
PubChem CID:	49855782
Reduced:	BrCl2O10C20H21 (1)
Stoich.:	AB2C10D20E21 (1)
Weight, g/mol:	208.067034
ΔH_f, kcal/mol:	-438.6
Dipole, Da:	2.6
IP(EA), eV:	-9.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=C(C=C(C=C2Cl)Br)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations