Geometry & MOs

Info

ID:	188953
PubChem CID:	77792965
Reduced:	N2O3F4C20H24 (1)
Stoich.:	A2B3C4D20E24 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-345.01
Dipole, Da:	3.01
IP(EA), eV:	-9.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-3-(pyridin-2-ylmethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1F)C(=O)C2C(C3C(CCC(C3C(F)(F)F)C)NC2=O)O

DOS

IR

Vibrations