Geometry & MOs

Info

ID:	188944
PubChem CID:	77790049
Reduced:	O4N5C18H19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	442.06671
ΔH_f, kcal/mol:	-79.45
Dipole, Da:	5.55
IP(EA), eV:	-9.43(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[3-amino-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]-2-chloro-4-fluorophenyl]-2-aminooxyacetate

Drug info:

PubChemData

Smile

CC(=O)N1C=NC2C1=NC(=NC2=O)NCC(CC3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations