Geometry & MOs

Info

ID:

326610

PubChem CID:

126687877

Reduced:

SF4O5N7C27H29 (1)

Stoich.:

AB4C5D7E27F29 (1)

Weight, g/mol:

896.500755

ΔHf, kcal/mol:

-258.72

Dipole, Da:

13.99

IP(EA), eV:

 -8.03(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,11S,14S)-14-[[2-[[(2S)-2-amino-2-[[(2R)-4-hydroxy-2-[methyl(tetradecylcarbamoyl)amino]butanoyl]amino]acetyl]amino]acetyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=C2C(=C/C(=C\3/C=C(C(=O)C=C3CC(F)(F)F)F)/N=C2NCC4=CC=CC=C4N(C)S(=O)(=O)NCCOC)NN1

DOS

IR

Vibrations