Geometry & MOs

Info

ID:	138834
PubChem CID:	52432331
Reduced:	ClN2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	420.12407
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	4.35
IP(EA), eV:	-8.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chlorophenyl)-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-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)Cl)OC

DOS

IR

Vibrations