Geometry & MOs

Info

ID:	41644
PubChem CID:	8146674
Reduced:	SN5C23H24 (1)
Stoich.:	AB5C23D24 (1)
Weight, g/mol:	371.076219
ΔH_f, kcal/mol:	156.61
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.830250
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations