Geometry & MOs

Info

ID:

193360

PubChem CID:

78381341

Reduced:

SN3O4C32H39 (1)

Stoich.:

AB3C4D32E39 (1)

Weight, g/mol:

1228.544076

ΔHf, kcal/mol:

-101.01

Dipole, Da:

9.94

IP(EA), eV:

 -8.68(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(10-aminodecyl)-22-(2-amino-2-oxoethyl)-2,18,32,35,37,48-hexahydroxy-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(50),4,6(49),8(48),9,11,14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxamide

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1C2CCN(CC2)CCC(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations