Geometry & MOs

Info

ID:

448483

PubChem CID:

135291313

Reduced:

NO9C44H69 (1)

Stoich.:

AB9C44D69 (1)

Weight, g/mol:

1145.778768

ΔHf, kcal/mol:

-437.89

Dipole, Da:

3.8

IP(EA), eV:

 -9.32(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12R,18S,21S,30S,33S)-21-tert-butyl-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,18,19,25-octamethyl-6,9,15-tris(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CC\1CCC(CC(OC(=O)C2CCCCN2C(=O)CC3(C(CC(C(O3)C(C/C=C/CC(/C=C1)O)C)C)C)O)/C(=C/C(=C/C4CC(C(C=C4)O)OC)/C)/C)O

DOS

IR

Vibrations