Geometry & MOs

Info

ID:	412927
PubChem CID:	135085864
Reduced:	SBr2H8C9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	149.045273
ΔH_f, kcal/mol:	34.95
Dipole, Da:	2.46
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-cyano-2-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S)C=C(Br)Br

DOS

IR

Vibrations