Geometry & MOs

Info

ID:	217067
PubChem CID:	85087197
Reduced:	FSN3O4C13H16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-153.7
Dipole, Da:	2.84
IP(EA), eV:	-10.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-hydroxyethoxy)ethylamino]-4-methylpyrimido[4,5-b][1,5]benzodiazepin-5-one

Drug info:

PubChemData

Smile

CC(C(CN1C=NC=N1)(C2=CC=CC=C2F)O)OS(=O)(=O)C

DOS

IR

Vibrations