Geometry & MOs

Info

ID:	295184
PubChem CID:	117520786
Reduced:	BrS2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	380.09871
ΔH_f, kcal/mol:	-130.58
Dipole, Da:	4.69
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1Br)C2(CCC2)C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations