Geometry & MOs

Info

ID:	209230
PubChem CID:	80641075
Reduced:	ClSN3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	340.92768
ΔH_f, kcal/mol:	70.15
Dipole, Da:	3.6
IP(EA), eV:	-8.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N=C2NC)C3=C(C=CS3)Cl

DOS

IR

Vibrations