Geometry & MOs

Info

ID:	41647
PubChem CID:	8146683
Reduced:	SN5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	88.69
Dipole, Da:	4.11
IP(EA), eV:	-8.45(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=S)N3C(=CC(=NC3=N2)C)C

DOS

IR

Vibrations