Geometry & MOs

Info

ID:	418231
PubChem CID:	135103919
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-50.77
Dipole, Da:	7.7
IP(EA), eV:	-9.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)OCC2

DOS

IR

Vibrations