Geometry & MOs

Info

ID:	42893
PubChem CID:	8150148
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	2.42
IP(EA), eV:	-8.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N[C@H](C)C2=NC3=C(C4=C(S3)C[C@H](CC4)C)C(=O)N2)OCC

DOS

IR

Vibrations