Geometry & MOs

Info

ID:	191290
PubChem CID:	78125981
Reduced:	O2N4C33H40 (1)
Stoich.:	A2B4C33D40 (1)
Weight, g/mol:	334.099871
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	4.0
IP(EA), eV:	-7.79(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-ethyl-2-oxo-4-sulfanylidene-1,3-diazinan-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C2C(=C(N(C2=C(C=C1)C)CCN(C)C)C)CC(=O)NC(CC3=CC=CC=C3)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations