Geometry & MOs

Info

ID:	220587
PubChem CID:	85197908
Reduced:	O3C21H34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	337.107399
ΔH_f, kcal/mol:	-183.2
Dipole, Da:	0.22
IP(EA), eV:	-8.64(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(5-fluoro-2,4-dioxo-1,3-diazinane-1-carbonyl)amino]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CCC2C(O1)(CCC3C2(CC4C(C3(C)C)OC(O4)(C)C)C)C

DOS

IR

Vibrations