Geometry & MOs

Info

ID:	183870
PubChem CID:	77083734
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	283.108754
ΔH_f, kcal/mol:	-27.42
Dipole, Da:	3.94
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=O)N2CCC(=O)NCCC3=CSC=N3

DOS

IR

Vibrations