Geometry & MOs

Info

ID:	435665
PubChem CID:	135192096
Reduced:	FN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	582.27413
ΔH_f, kcal/mol:	18.44
Dipole, Da:	3.8
IP(EA), eV:	-9.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[3-(dimethylamino)-2-[(5-fluoro-2-methylphenoxy)methyl]-4-[(2-methyl-1-oxopropan-2-yl)amino]phenyl]-3-methoxyphenoxy]-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(C)C=NC(=NC)CC=C)F

DOS

IR

Vibrations