Geometry & MOs

Info

ID:	40995
PubChem CID:	8145091
Reduced:	S2N3O3C15H19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	408.084044
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	5.61
IP(EA), eV:	-8.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=CS3

DOS

IR

Vibrations