Geometry & MOs

Info

ID:	67410
PubChem CID:	46506422
Reduced:	S2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	419.133734
ΔH_f, kcal/mol:	-89.33
Dipole, Da:	2.57
IP(EA), eV:	-8.7(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)butanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)CCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

DOS

IR

Vibrations