Geometry & MOs

Info

ID:	138831
PubChem CID:	52432328
Reduced:	FN2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	404.153621
ΔH_f, kcal/mol:	-77.66
Dipole, Da:	2.58
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)[C@H](C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations