Geometry & MOs

Info

ID:	42802
PubChem CID:	8150030
Reduced:	O2S2N3C16H20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	349.091869
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	14.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922177
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[[(2R)-1-methoxypropan-2-yl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](COC)[NH2+][C@H](C)C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

DOS

IR

Vibrations