Geometry & MOs

Info

ID:	42578
PubChem CID:	8149730
Reduced:	SN3O5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	413.086784
ΔH_f, kcal/mol:	-164.29
Dipole, Da:	5.29
IP(EA), eV:	-8.41(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(3,4-dimethoxyanilino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)NC3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations