Geometry & MOs

Info

ID:	431811
PubChem CID:	135171917
Reduced:	SO2F3N3C24H34 (1)
Stoich.:	AB2C3D3E24F34 (1)
Weight, g/mol:	419.278407
ΔH_f, kcal/mol:	-251.71
Dipole, Da:	8.54
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-amino-4-[[1-(2-methoxyacetyl)piperidin-4-yl]-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=N[C@H](CS3)C(F)(F)F

DOS

IR

Vibrations