Geometry & MOs

Info

ID:	67416
PubChem CID:	46506437
Reduced:	S2N3O4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	419.133734
ΔH_f, kcal/mol:	-126.32
Dipole, Da:	9.65
IP(EA), eV:	-8.77(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-5-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)pentanamide

Drug info:

PubChemData

Smile

COC(CNC(=O)CCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S)OC

DOS

IR

Vibrations