Geometry & MOs

Info

ID:	192924
PubChem CID:	78325651
Reduced:	FN3O4C31H38 (1)
Stoich.:	AB3C4D31E38 (1)
Weight, g/mol:	282.078662
ΔH_f, kcal/mol:	-189.84
Dipole, Da:	6.4
IP(EA), eV:	-8.46(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(3-nitrophenyl)methylsulfanyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3CCCCC3C2=O)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations