Geometry & MOs

Info

ID:	139115
PubChem CID:	52475573
Reduced:	ClSO3N4H19C22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	444.029518
ΔH_f, kcal/mol:	-45.0
Dipole, Da:	5.49
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)N=C2N(C=CS2)CC3=CC=CC=C3Cl)C4=CC=CC=C4

DOS

IR

Vibrations