Geometry & MOs

Info

ID:	41722
PubChem CID:	8146956
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	402.99901
ΔH_f, kcal/mol:	-16.3
Dipole, Da:	5.01
IP(EA), eV:	-8.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C(C)C)NCC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

DOS

IR

Vibrations