Geometry & MOs

Info

ID:	416999
PubChem CID:	135091072
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	319.062677
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	2.24
IP(EA), eV:	-8.76(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N(CCN(C)C)CC2=CN=C(N2)C

DOS

IR

Vibrations