Geometry & MOs

Info

ID:	318166
PubChem CID:	126649316
Reduced:	BrON2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	527.172621
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	4.47
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-2-oxo-1,3-benzoxazol-3-yl]butanamide

Drug info:

PubChemData

Smile

C1=CNC2=C(C=C(C=C21)C(=O)N)Br

DOS

IR

Vibrations