Geometry & MOs

Info

ID:	314874
PubChem CID:	126623857
Reduced:	N3O7C23H23 (1)
Stoich.:	A3B7C23D23 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-191.7
Dipole, Da:	4.5
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=C(N=C3)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5OC)CC(=O)O

DOS

IR

Vibrations