Geometry & MOs

Info

ID:	216160
PubChem CID:	85085815
Reduced:	NOH4C7 (2)
Stoich.:	ABC4D7 (2)
Weight, g/mol:	238.057612
ΔH_f, kcal/mol:	33.29
Dipole, Da:	2.14
IP(EA), eV:	-9.12(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CC(=O)C2C(=C1)C(=O)C3=CC=CC4=NNC2=C43

DOS

IR

Vibrations