Geometry & MOs

Info

ID:	42579
PubChem CID:	8149731
Reduced:	S2N3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	3.63
IP(EA), eV:	-8.23(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyanilino)methyl]-6-methyl-5-[(2R)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations