Geometry & MOs

Info

ID:	41630
PubChem CID:	8146634
Reduced:	SN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	371.076219
ΔH_f, kcal/mol:	16.7
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858413
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations