Geometry & MOs

Info

ID:	426656
PubChem CID:	135153162
Reduced:	NF2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	443.233955
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	5.87
IP(EA), eV:	-9.49(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(6-chloropyridin-3-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=C(C=C2)C3=NC(C(C4=CC=CC=C43)(F)F)(C)C

DOS

IR

Vibrations