Geometry & MOs

Info

ID:	224429
PubChem CID:	85342786
Reduced:	ClFO2N4C23H24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	446.09541
ΔH_f, kcal/mol:	-44.29
Dipole, Da:	8.45
IP(EA), eV:	-6.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-iodo-2-[(4-methoxyphenyl)methoxy]-3-methylpent-4-enyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CC2C3C(C(N2C1)C4=CC=C(C=C4)C(=N)[NH3+])C(=O)N(C3=O)CC5=CC=CC=C5F.[Cl-]

DOS

IR

Vibrations