Geometry & MOs

Info

ID:	431911
PubChem CID:	135172036
Reduced:	O4N5C26H27 (1)
Stoich.:	A4B5C26D27 (1)
Weight, g/mol:	463.203798
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	1.95
IP(EA), eV:	-8.74(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[5-[(5-chloropyridin-2-yl)amino]-2-fluoro-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C(=C2)C#CC3=CN=CN=C3)NC(=O)NC4CC4)CC(=O)OC(C)(C)C

DOS

IR

Vibrations