Geometry & MOs

Info

ID:	431702
PubChem CID:	135171798
Reduced:	F3N3O3C26H34 (1)
Stoich.:	A3B3C3D26E34 (1)
Weight, g/mol:	487.26017
ΔH_f, kcal/mol:	-272.04
Dipole, Da:	3.09
IP(EA), eV:	-8.93(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[(5-chloropyridin-2-yl)amino]-4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations