Geometry & MOs

Info

ID:

375489

PubChem CID:

131536829

Reduced:

SN4H10C11 (1)

Stoich.:

AB4C10D11 (1)

Weight, g/mol:

1811.918132

ΔHf, kcal/mol:

86.38

Dipole, Da:

7.88

IP(EA), eV:

-9.06(-1.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,5S,11S,14S,17S,21R,23S,26S,29S,32S,35S,38S,41S,44R,50S)-29-(2-aminoethyl)-14-(aminomethyl)-N,5-bis(2-amino-2-oxoethyl)-35,38-dibutyl-21,55-dihydroxy-26,32-bis(1H-indol-3-ylmethyl)-2,34,37-trimethyl-17,41-bis(2-methylpropyl)-3,6,12,15,18,24,27,30,33,36,39,42,48,58-tetradecaoxo-46-thia-1,4,7,13,16,19,25,28,31,34,37,40,43,49-tetradecazapentacyclo[48.7.1.07,11.019,23.052,57]octapentaconta-52(57),53,55-triene-44-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C#N)NC2=NC=C(S2)C

DOS

IR

Vibrations