Geometry & MOs

Info

ID:	138828
PubChem CID:	52432325
Reduced:	ClN2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	406.10842
ΔH_f, kcal/mol:	-39.62
Dipole, Da:	2.66
IP(EA), eV:	-8.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

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)Cl)OC

DOS

IR

Vibrations