Geometry & MOs

Info

ID:	42781
PubChem CID:	8149995
Reduced:	OSN3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	386.170237
ΔH_f, kcal/mol:	17.24
Dipole, Da:	1.63
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NCC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

DOS

IR

Vibrations