Geometry & MOs

Info

ID:	40623
PubChem CID:	8144435
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	380.151826
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	2.85
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CN2CCOCC2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations