Geometry & MOs

Info

ID:

170464

PubChem CID:

75237044

Reduced:

SN3O6C34H39 (1)

Stoich.:

AB3C6D34E39 (1)

Weight, g/mol:

1439.678014

ΔHf, kcal/mol:

-190.15

Dipole, Da:

7.78

IP(EA), eV:

 -8.88(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-2-[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,10,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-15-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)COC2=CC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations