Geometry & MOs

Info

ID:	401085
PubChem CID:	135050052
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	254.097666
ΔH_f, kcal/mol:	-108.5
Dipole, Da:	1.45
IP(EA), eV:	-9.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,3-dimethyl-3-thiophen-3-yloxirane-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2C(=O)OC3(CCC4=CC=CC=C4[C@H]3Br)C(=O)N2C1

DOS

IR

Vibrations