Geometry & MOs

Info

ID:	388065
PubChem CID:	134988033
Reduced:	NOSC9H15 (1)
Stoich.:	ABCD9E15 (1)
Weight, g/mol:	249.00006
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	5.32
IP(EA), eV:	-9.57(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-2-isocyanato-3-methylbutanoate

Drug info:

PubChemData

Smile

CCC(=O)C(C)C(C)(C)SC#N

DOS

IR

Vibrations