Geometry & MOs

Info

ID:	40063
PubChem CID:	8143508
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	406.052535
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	2.17
IP(EA), eV:	-9.25(0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)N(C(=O)N1)CN2CCCC2

DOS

IR

Vibrations