Geometry & MOs

Info

ID:	135994
PubChem CID:	51963578
Reduced:	FON3C21H28 (1)
Stoich.:	ABC3D21E28 (1)
Weight, g/mol:	357.221641
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	2.25
IP(EA), eV:	-7.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,5-dimethylphenyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)NC2=CC(=C(C=C2)N(C)C(C)C)F

DOS

IR

Vibrations