Geometry & MOs

Info

ID:	431705
PubChem CID:	135171801
Reduced:	ClFN3O3C26H35 (1)
Stoich.:	ABC3D3E26F35 (1)
Weight, g/mol:	491.235098
ΔH_f, kcal/mol:	-170.27
Dipole, Da:	2.78
IP(EA), eV:	-8.57(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations