Geometry & MOs

Info

ID:	138849
PubChem CID:	52434654
Reduced:	ClNSO6C20H22 (1)
Stoich.:	ABCD6E20F22 (1)
Weight, g/mol:	440.069448
ΔH_f, kcal/mol:	-246.03
Dipole, Da:	2.7
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chlorophenyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)[C@@H](C2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations