Geometry & MOs

Info

ID:	140741
PubChem CID:	52750681
Reduced:	FCl2O2N3H18C20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	421.07601
ΔH_f, kcal/mol:	-72.33
Dipole, Da:	5.7
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,4-dichlorophenoxy)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)CNC(=O)[C@@H](C)OC3=C(C=C(C=C3)Cl)Cl)F

DOS

IR

Vibrations