Geometry & MOs

Info

ID:	67409
PubChem CID:	46506421
Reduced:	S2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	391.102434
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	4.92
IP(EA), eV:	-8.52(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations