Geometry & MOs

Info

ID:	413726
PubChem CID:	135086676
Reduced:	BrO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	332.054087
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	2.75
IP(EA), eV:	-9.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methoxyphenyl)-2-methylpent-2-en-4-ynyl]sulfonylthiophene

Drug info:

PubChemData

Smile

CC(C)C(C)(C)OC(=O)/C(=C/C1=CC=CC=C1Br)/C

DOS

IR

Vibrations