Geometry & MOs

Info

ID:	42841
PubChem CID:	8150083
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	2.86
IP(EA), eV:	-8.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R)-1-(2,3-dihydro-1H-inden-5-ylamino)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)NC4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations