Geometry & MOs

Info

ID:

448473

PubChem CID:

135291211

Reduced:

NO6C34H53 (1)

Stoich.:

AB6C34D53 (1)

Weight, g/mol:

1223.789332

ΔHf, kcal/mol:

-312.23

Dipole, Da:

1.7

IP(EA), eV:

 -9.23(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-[(4-hydroxyphenyl)methyl]-1,4,7,10,12,15,18,19,25,28-decamethyl-6,9,21-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

C[C@@H]1CCCCCC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(C(=O)[C@@H](CCC[C@@H](C1)C)C)(O)O)CCC3=CC=CC=C3

DOS

IR

Vibrations