Geometry & MOs

Info

ID:	42630
PubChem CID:	8149792
Reduced:	OSN3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-28.22
Dipole, Da:	2.52
IP(EA), eV:	-8.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R)-1-(3,5-dimethylanilino)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(=CC(=C4)C)C

DOS

IR

Vibrations