Geometry & MOs

Info

ID:	431977
PubChem CID:	135172105
Reduced:	O3N5C26H39 (1)
Stoich.:	A3B5C26D39 (1)
Weight, g/mol:	443.233955
ΔH_f, kcal/mol:	-72.44
Dipole, Da:	4.57
IP(EA), eV:	-7.81(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)OC)NC3=NNC(=N3)C4CC4

DOS

IR

Vibrations