Geometry & MOs

Info

ID:	138832
PubChem CID:	52432329
Reduced:	FN2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	404.153621
ΔH_f, kcal/mol:	-85.57
Dipole, Da:	2.71
IP(EA), eV:	-8.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)[C@@H](C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations