Geometry & MOs

Info

ID:	37968
PubChem CID:	8025981
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	389.120941
ΔH_f, kcal/mol:	-47.62
Dipole, Da:	5.71
IP(EA), eV:	-8.46(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations