Geometry & MOs

Info

ID:	182832
PubChem CID:	76942916
Reduced:	FOSN2C11H11 (1)
Stoich.:	ABCD2E11F11 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-61.5
Dipole, Da:	5.38
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propylphenyl)-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)N2CCC(=O)NC2=S

DOS

IR

Vibrations