Geometry & MOs

Info

ID:	204642
PubChem CID:	79991922
Reduced:	FSBr3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	212.087101
ΔH_f, kcal/mol:	4.11
Dipole, Da:	1.52
IP(EA), eV:	-9.39(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-2-(3-methylthiophen-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=CC(=CC(=C2)Br)F)Br)Br

DOS

IR

Vibrations