Geometry & MOs

Info

ID:	381477
PubChem CID:	134972229
Reduced:	N5O11C33H55 (1)
Stoich.:	A5B11C33D55 (1)
Weight, g/mol:	444.18891
ΔH_f, kcal/mol:	-534.94
Dipole, Da:	4.2
IP(EA), eV:	-8.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-2-methoxy-4-pentadecylbenzene

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C(=O)NCCCN(CCCNC(=O)C1=C(C(=CC=C1)OC)OC)C(=O)[C@@H]([C@H](C)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations