Geometry & MOs

Info

ID:	67407
PubChem CID:	46506419
Reduced:	S2N3O4C14H19 (1)
Stoich.:	A2B3C4D14E19 (1)
Weight, g/mol:	375.107519
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	3.6
IP(EA), eV:	-8.79(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=S)NC2=C(SC=C2)C(=O)OC

DOS

IR

Vibrations