Geometry & MOs

Info

ID:	194133
PubChem CID:	78489216
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	356.13184
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	5.9
IP(EA), eV:	-9.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-amino-2-(2-ethoxyethylsulfanyl)-6-oxo-1,3-diazinan-5-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)SC2NC(C(C(=O)N2)NC(=O)C3=CC=CC=C3)N

DOS

IR

Vibrations