Geometry & MOs

Info

ID:	418735
PubChem CID:	135106657
Reduced:	SN2O2C7H12 (2)
Stoich.:	AB2C2D7E12 (2)
Weight, g/mol:	293.106336
ΔH_f, kcal/mol:	-135.0
Dipole, Da:	4.67
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=NC(=CS1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations