Geometry & MOs

Info

ID:	167100
PubChem CID:	74779766
Reduced:	BrN4O6H15C19 (1)
Stoich.:	AB4C6D15E19 (1)
Weight, g/mol:	401.068156
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	6.76
IP(EA), eV:	-9.93(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC1=NC(=NO1)C2=CC(=CC=C2)Br)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations