Geometry & MOs

Info

ID:	393056
PubChem CID:	135019171
Reduced:	OC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	264.01835
ΔH_f, kcal/mol:	-127.99
Dipole, Da:	1.59
IP(EA), eV:	-9.51(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl (E)-6-bromohex-2-enethioate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C1C(=O)C2=CC=CC=C2)C)C

DOS

IR

Vibrations