Geometry & MOs

Info

ID:

161416

PubChem CID:

57391610

Reduced:

OF3N5H14C15 (1)

Stoich.:

AB3C5D14E15 (1)

Weight, g/mol:

1611.860206

ΔHf, kcal/mol:

-99.8

Dipole, Da:

4.89

IP(EA), eV:

-8.99(-0.94)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-N'-[3-[(2R,5S,8S,14R)-5-[3-(carbamoylamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]tridecanediamide

Drug info:

PubChemData

Smile

CCCNC1=NC2=C(C=C1)N=NN2C3=CC(=CC=C3)OC(F)(F)F

DOS

IR

Vibrations