Geometry & MOs

Info

ID:

82497

PubChem CID:

49856104

Reduced:

SN3O5H25C31 (1)

Stoich.:

AB3C5D25E31 (1)

Weight, g/mol:

1153.586669

ΔHf, kcal/mol:

-65.86

Dipole, Da:

9.38

IP(EA), eV:

 -9.09(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(1S,7S,10S,13R,16S,21S,22S,25S,28R,32R)-25-[(S)-carboxy(hydroxy)methyl]-10-[3-(diaminomethylideneamino)propyl]-21-hydroxy-32-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-28-(10-methylundecyl)-2,8,11,14,17,23,26,30,33-nonaoxo-27-oxa-3,9,12,15,18,24,31,34-octazatetracyclo[32.3.0.03,7.018,22]heptatriacontan-13-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N(CC3)C(=O)C5=CC=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations