Geometry & MOs

Info

ID:	406090
PubChem CID:	135076469
Reduced:	BrNC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-2.4
Dipole, Da:	3.68
IP(EA), eV:	-8.59(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-3-benzylsulfanyl-2-isocyanopropanoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=C(Br)Br)N2CCCCC2

DOS

IR

Vibrations