Geometry & MOs

Info

ID:	42450
PubChem CID:	8149568
Reduced:	OF3N3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	333.163674
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	1.65
IP(EA), eV:	-7.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5,6-dimethyl-3-pentan-3-yl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl)-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations