Geometry & MOs

Info

ID:	42904
PubChem CID:	8150166
Reduced:	O2S2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	411.107519
ΔH_f, kcal/mol:	5.77
Dipole, Da:	3.82
IP(EA), eV:	-8.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-5-thiophen-2-yl-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)N(C)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations