Geometry & MOs

Info

ID:

219093

PubChem CID:

85090491

Reduced:

FN2O14C21H31 (1)

Stoich.:

AB2C14D21E31 (1)

Weight, g/mol:

552.346427

ΔHf, kcal/mol:

-676.08

Dipole, Da:

5.33

IP(EA), eV:

 -10.59(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(11,16-diethyl-12,17,21,26-tetramethyl-22-propyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-4-yl)oxy]ethanol

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3CC(C(=O)NC3=O)F)COC4(CC(C(C(O4)C(C(CO)O)O)O)O)C(=O)O)C

DOS

IR

Vibrations