Geometry & MOs

Info

ID:	280979
PubChem CID:	103852302
Reduced:	BrOSN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-15.2
Dipole, Da:	3.1
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-bromo-2,6-dimethylphenyl)oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCSC1)C(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations