Geometry & MOs

Info

ID:	41851
PubChem CID:	8147322
Reduced:	ON3S3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	384.084044
ΔH_f, kcal/mol:	41.58
Dipole, Da:	2.39
IP(EA), eV:	-8.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(furan-2-yl)-2-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(CCN1CC3=NC4=C(C(=CS4)C5=CC=C(S5)C)C(=O)N3)SC=C2

DOS

IR

Vibrations