Geometry & MOs

Info

ID:	185556
PubChem CID:	77314138
Reduced:	SN2O4H14C17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	7.09
IP(EA), eV:	-9.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(benzoyloxymethoxymethyl)bicyclo[3.1.0]hexane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)C=CC(=O)ON

DOS

IR

Vibrations