Geometry & MOs

Info

ID:	272010
PubChem CID:	103716612
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	299.95681
ΔH_f, kcal/mol:	-50.91
Dipole, Da:	2.17
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations