Geometry & MOs

Info

ID:	431852
PubChem CID:	135171966
Reduced:	ClFN3O3C26H35 (1)
Stoich.:	ABC3D3E26F35 (1)
Weight, g/mol:	491.235098
ΔH_f, kcal/mol:	-163.69
Dipole, Da:	4.81
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[5-[(6-chloropyridin-3-yl)amino]-2-fluoro-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1F)N(CC(C)C)C2CCOCC2)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations