Geometry & MOs

Info

ID:	42760
PubChem CID:	8149965
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	350.190223
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	3.12
IP(EA), eV:	-8.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-ethoxypropyl-[(1S)-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

CCOCCCN[C@@H](C)C1=NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)N1

DOS

IR

Vibrations