Geometry & MOs

Info

ID:

223323

PubChem CID:

85334858

Reduced:

SN18O25C73H124 (1)

Stoich.:

AB18C25D73E124 (1)

Weight, g/mol:

1714.734033

ΔHf, kcal/mol:

-1282.73

Dipole, Da:

21.12

IP(EA), eV:

 -9.27(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

48-[6-(aminomethyl)-3-[4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-N-(5-hydroxypentyl)-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O)N

DOS

IR

Vibrations