Geometry & MOs

Info

ID:	291583
PubChem CID:	113446057
Reduced:	BrOSN2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	387.87036
ΔH_f, kcal/mol:	34.79
Dipole, Da:	5.76
IP(EA), eV:	-8.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(5-bromo-4-methylthiophen-2-yl)-1,3-benzoxazol-7-amine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=CC(=CC(=C3O2)N)Br

DOS

IR

Vibrations