Geometry & MOs

Info

ID:	18527
PubChem CID:	542312
Reduced:	BrSO2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	335.98196
ΔH_f, kcal/mol:	-36.21
Dipole, Da:	4.15
IP(EA), eV:	-9.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-2-(2,5-dimethylthiophen-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=CC2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations