Geometry & MOs

Info

ID:	42590
PubChem CID:	8149745
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	320.179659
ΔH_f, kcal/mol:	67.21
Dipole, Da:	2.1
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)[C@@H](CNC1=NC=CC=N1)C2=CC=CC=C2

DOS

IR

Vibrations