Geometry & MOs

Info

ID:	42226
PubChem CID:	8149328
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	374.13608
ΔH_f, kcal/mol:	-135.07
Dipole, Da:	6.07
IP(EA), eV:	-8.95(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)N3C[C@H](C[C@@H](C3)C)C)C

DOS

IR

Vibrations