Geometry & MOs

Info

ID:

402537

PubChem CID:

135056313

Reduced:

NO3C10H15 (1)

Stoich.:

AB3C10D15 (1)

Weight, g/mol:

1062.573645

ΔHf, kcal/mol:

-129.3

Dipole, Da:

3.93

IP(EA), eV:

-10.02(-0.58)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-4,13,16,22-tetrazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide

Drug info:

PubChemData

Smile

CCC1(C(=O)/C(=C/O)/CNC1=O)CC

DOS

IR

Vibrations