Geometry & MOs

Info

ID:	42788
PubChem CID:	8150003
Reduced:	FOSN3C21H24 (1)
Stoich.:	ABCD3E21F24 (1)
Weight, g/mol:	400.095358
ΔH_f, kcal/mol:	-61.73
Dipole, Da:	3.05
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-fluorophenyl)ethyl-[(1S)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCCC4=CC=C(C=C4)F

DOS

IR

Vibrations