Geometry & MOs

Info

ID:	401067
PubChem CID:	135049962
Reduced:	ClPBr4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-37.4
Dipole, Da:	3.29
IP(EA), eV:	-9.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(thiophene-2-carbonyl)hex-3-enoate

Drug info:

PubChemData

Smile

C1C(C(CP1(CCC2=CC=C(C=C2)Cl)(Br)Br)Br)Br

DOS

IR

Vibrations