Geometry & MOs

Info

ID:	40348
PubChem CID:	8143974
Reduced:	ON2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	363.185472
ΔH_f, kcal/mol:	49.37
Dipole, Da:	3.31
IP(EA), eV:	-8.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=C)[C@@H]1CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations