Geometry & MOs

Info

ID:

143628

PubChem CID:

53237285

Reduced:

SN3O3F5H12C21 (1)

Stoich.:

AB3C3D5E12F21 (1)

Weight, g/mol:

924.471855

ΔHf, kcal/mol:

-254.49

Dipole, Da:

10.27

IP(EA), eV:

 -9.48(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,12S,15S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-9-benzyl-15-(butanoylamino)-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-2-methyl-5,8,11,14,18-pentaoxo-1,4,7,10,13-pentazacyclooctadecane-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=NC=CC(=C34)C(F)(F)F)F

DOS

IR

Vibrations