Geometry & MOs

Info

ID:	226215
PubChem CID:	87350161
Reduced:	SN3O5H35C39 (1)
Stoich.:	AB3C5D35E39 (1)
Weight, g/mol:	318.11944
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	8.77
IP(EA), eV:	-8.08(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-methyltetradec-13-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=CC=CC=C5C)C=C4O3)C6=CC=CC=C6S(=O)(=O)N7CCC(CC7)C(=O)O

DOS

IR

Vibrations