Geometry & MOs

Info

ID:	42900
PubChem CID:	8150160
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-46.8
Dipole, Da:	3.08
IP(EA), eV:	-8.52(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R)-1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)N(C)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations