Geometry & MOs

Info

ID:	221911
PubChem CID:	85292686
Reduced:	SN2O4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	384.088827
ΔH_f, kcal/mol:	-150.11
Dipole, Da:	8.14
IP(EA), eV:	-8.58(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-3-fluoro-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCCC1=[N+](C(CCC1)C(=O)N2C3CC4CCC3(C4(C)C)CS2(=O)=O)[O-]

DOS

IR

Vibrations