Geometry & MOs

Info

ID:	41685
PubChem CID:	8146808
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-9.82
Dipole, Da:	6.78
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N[C@@H](C3=CC=C(C=C3)C(C)C)C(C)C

DOS

IR

Vibrations