Geometry & MOs

Info

ID:	42783
PubChem CID:	8149997
Reduced:	FOSN3C21H24 (1)
Stoich.:	ABCD3E21F24 (1)
Weight, g/mol:	386.170237
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	1.41
IP(EA), eV:	-8.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-fluorophenyl)ethyl-[(1R)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[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