Geometry & MOs

Info

ID:	179554
PubChem CID:	76498138
Reduced:	O2N3F4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	188.061949
ΔH_f, kcal/mol:	-216.46
Dipole, Da:	10.54
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-6-sulfanyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CNC1CCC2(C1C3=CC=C(C=C3)F)CC(CO2)C4=C(C=CC(=C4)N5C=CN=C5C(F)(F)F)OC

DOS

IR

Vibrations