Geometry & MOs

Info

ID:	138835
PubChem CID:	52432332
Reduced:	ClN2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	3.04
IP(EA), eV:	-8.61(-0.86)
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-methoxy-2-phenylacetamide

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)Cl)OC

DOS

IR

Vibrations