Geometry & MOs

Info

ID:	120750
PubChem CID:	50743124
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	3.27
IP(EA), eV:	-8.93(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)CC)N3C1=NNC3=S

DOS

IR

Vibrations