Geometry & MOs

Info

ID:	204519
PubChem CID:	79976569
Reduced:	NS2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	365.00851
ΔH_f, kcal/mol:	39.26
Dipole, Da:	0.75
IP(EA), eV:	-8.81(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bromo-(3-ethylthiophen-2-yl)methyl]-3-ethyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(CC2=CC=CS2)N

DOS

IR

Vibrations