Geometry & MOs

Info

ID:	194424
PubChem CID:	78534099
Reduced:	ClN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	337.055484
ΔH_f, kcal/mol:	-68.29
Dipole, Da:	5.7
IP(EA), eV:	-9.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

Drug info:

PubChemData

Smile

CC(C(=O)N)OC(=O)C=CC1=C(N=C2N1C=CC=C2)Cl

DOS

IR

Vibrations