Geometry & MOs

Info

ID:	42801
PubChem CID:	8150026
Reduced:	O2S2N3C16H20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	350.099694
ΔH_f, kcal/mol:	-14.98
Dipole, Da:	15.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.931277
Charge, e:	1

Chem-info

IUPAC name:

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

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