Geometry & MOs

Info

ID:	431652
PubChem CID:	135171748
Reduced:	ClFN2O3C23H26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	425.234828
ΔH_f, kcal/mol:	-175.99
Dipole, Da:	5.19
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl

DOS

IR

Vibrations