Geometry & MOs

Info

ID:	218207
PubChem CID:	85089028
Reduced:	FSN5O6C17H18 (1)
Stoich.:	ABC5D6E17F18 (1)
Weight, g/mol:	439.213007
ΔH_f, kcal/mol:	-199.72
Dipole, Da:	6.32
IP(EA), eV:	-9.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[2,2-difluoro-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetyl]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)C(C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)F

DOS

IR

Vibrations