Geometry & MOs

Info

ID:	421749
PubChem CID:	135116536
Reduced:	ClFNSO4C16H21 (1)
Stoich.:	ABCDE4F16G21 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-224.11
Dipole, Da:	5.82
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)Cl)O

DOS

IR

Vibrations