Geometry & MOs

Info

ID:	40843
PubChem CID:	8144808
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	335.154172
ΔH_f, kcal/mol:	-63.27
Dipole, Da:	1.49
IP(EA), eV:	-8.83(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl]-[(1S)-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

C1CN(CCC1CC2=CC=CC=C2)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O

DOS

IR

Vibrations