Geometry & MOs

Info

ID:	41728
PubChem CID:	8146989
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	411.131329
ΔH_f, kcal/mol:	43.73
Dipole, Da:	5.03
IP(EA), eV:	-8.59(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC=C1[C@H]2CCCN2CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

DOS

IR

Vibrations