Geometry & MOs

Info

ID:	170926
PubChem CID:	75302518
Reduced:	Cl2S2N5O11C34H43 (1)
Stoich.:	A2B2C5D11E34F43 (1)
Weight, g/mol:	360.05863
ΔH_f, kcal/mol:	-429.03
Dipole, Da:	8.01
IP(EA), eV:	-8.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-iodo-2-methylhex-5-en-3-yl)oxymethyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.Cl

DOS

IR

Vibrations