Geometry & MOs

Info

ID:	203912
PubChem CID:	79890842
Reduced:	BrON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	319.9619
ΔH_f, kcal/mol:	29.45
Dipole, Da:	2.22
IP(EA), eV:	-8.21(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)sulfanyl-1,3-benzoxazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NC3=C(C=CC=C3O2)N)Br

DOS

IR

Vibrations