Geometry & MOs

Info

ID:

182149

PubChem CID:

76853519

Reduced:

SO5N7C51H61 (1)

Stoich.:

AB5C7D51E61 (1)

Weight, g/mol:

578.345483

ΔHf, kcal/mol:

-121.91

Dipole, Da:

11.19

IP(EA), eV:

 -9.13(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-1,2-bis[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@H]3C(=O)N(CC(N3CC4=CC=CC=C4)[C@H](CC5=CC=CC=C5)NC(=O)NCC6=CC=CC=C6)CC7=CC=CC=C7)N)C

DOS

IR

Vibrations