Geometry & MOs

Info

ID:	415648
PubChem CID:	135088647
Reduced:	SN2O2F3C14H21 (1)
Stoich.:	AB2C2D3E14F21 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-228.88
Dipole, Da:	4.72
IP(EA), eV:	-9.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(1-methylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)CCCN(C)CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations