Geometry & MOs

Info

ID:	168707
PubChem CID:	75005942
Reduced:	N5O7C49H55 (1)
Stoich.:	A5B7C49D55 (1)
Weight, g/mol:	858.352
ΔH_f, kcal/mol:	-131.92
Dipole, Da:	6.47
IP(EA), eV:	-7.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-iodo-3-methylnonadec-18-enoic acid;19-iodononadec-18-enoic acid

Drug info:

PubChemData

Smile

CCC12CCCN(C1N3C4=CC=CC=C4C(=C3C(=C2)C(=O)OC)CC5C(CC6=C(N5)C=CC(=C6)OC)C7=C8C(=CC9(CCCN(C9N8C1=CC=CC=C17)O)CC)C(=O)OC)O

DOS

IR

Vibrations