Geometry & MOs

Info

ID:

377197

PubChem CID:

134223237

Reduced:

SF2O6C14H22 (1)

Stoich.:

AB2C6D14E22 (1)

Weight, g/mol:

995.399344

ΔHf, kcal/mol:

-385.71

Dipole, Da:

1.09

IP(EA), eV:

 -10.5(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R,7S)-10-(4-aminobutyl)-4-[[(2E)-2-[1-amino-3-(4-hydroxyphenyl)propylidene]hydrazinyl]methyl]-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]-3-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)(C2)C(=O)OCC(F)(F)S(=O)(=O)O)CCO

DOS

IR

Vibrations