Geometry & MOs

Info

ID:	426654
PubChem CID:	135153144
Reduced:	NF2O3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	463.203798
ΔH_f, kcal/mol:	-142.43
Dipole, Da:	4.82
IP(EA), eV:	-9.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(5-chloro-6-fluoropyridin-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1(C(C2=CC=CC=C2C(=N1)C3=CC(=C4C(=C3)C=CC(=O)O4)O)(F)F)C

DOS

IR

Vibrations