Geometry & MOs

Info

ID:

296731

PubChem CID:

117590751

Reduced:

NO8C42H45 (1)

Stoich.:

AB8C42D45 (1)

Weight, g/mol:

1975.31848

ΔHf, kcal/mol:

-165.16

Dipole, Da:

4.72

IP(EA), eV:

 -8.73(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;30-ethyl-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(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;2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5.C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations