Geometry & MOs

Info

ID:	37313
PubChem CID:	8019421
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	379.099063
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	5.44
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

DOS

IR

Vibrations