Geometry & MOs

Info

ID:	33254
PubChem CID:	7885664
Reduced:	N3O6C19H27 (1)
Stoich.:	A3B6C19D27 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-257.46
Dipole, Da:	6.51
IP(EA), eV:	-9.29(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C(C)C)C(=O)NC(=O)N

DOS

IR

Vibrations