Geometry & MOs

Info

ID:	42576
PubChem CID:	8149728
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	417.135842
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	3.65
IP(EA), eV:	-8.23(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R)-1-(3,4-dimethoxyanilino)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=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations