Geometry & MOs

Info

ID:	310322
PubChem CID:	126578760
Reduced:	ClON3F8H12C21 (1)
Stoich.:	ABC3D8E12F21 (1)
Weight, g/mol:	414.272987
ΔH_f, kcal/mol:	-371.23
Dipole, Da:	3.2
IP(EA), eV:	-10.37(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetamido-6-[5-(butylamino)-5-oxopentoxy]-3,4-dimethyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(C2=C(C=C(C=C2)C3=CN=C(N=C3)Cl)C(F)(F)F)(F)F)C(F)(F)F

DOS

IR

Vibrations