Geometry & MOs

Info

ID:	412893
PubChem CID:	135085829
Reduced:	BrSO2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	234.064057
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	5.03
IP(EA), eV:	-9.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)-[(1S,5R)-3-oxa-6-azabicyclo[3.1.0]hexan-6-yl]methanone

Drug info:

PubChemData

Smile

C/C(=C/C(=O)O)/C1=CC=C(S1)Br

DOS

IR

Vibrations