Geometry & MOs

Info

ID:	314694
PubChem CID:	126622755
Reduced:	ClISO2F3N4H23C25 (1)
Stoich.:	ABCD2E3F4G23H25 (1)
Weight, g/mol:	524.34541
ΔH_f, kcal/mol:	-110.18
Dipole, Da:	5.69
IP(EA), eV:	-9.3(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodohexacosan-1-ol;methane

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2CC4CCN(C(C4)S(=O)(=O)C(F)(F)F)I)C=C(C=C3)C(C#N)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations