Geometry & MOs

Info

ID:	41686
PubChem CID:	8146818
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	5.07
IP(EA), eV:	-9.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CN[C@@H](C3=CC=C(C=C3)C(C)C)C(C)C)C(=O)OC

DOS

IR

Vibrations