Geometry & MOs

Info

ID:	41735
PubChem CID:	8147004
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	381.138522
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	7.57
IP(EA), eV:	-8.74(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCC[C@@H]3C4=CC=CN4C)C(=O)OC

DOS

IR

Vibrations