Geometry & MOs

Info

ID:	197699
PubChem CID:	78987674
Reduced:	BrNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	352.04226
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	4.0
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)NC2=CC=CC=C2SC

DOS

IR

Vibrations