Geometry & MOs

Info

ID:

176563

PubChem CID:

76066384

Reduced:

SF2O6N8H20C26 (1)

Stoich.:

AB2C6D8E20F26 (1)

Weight, g/mol:

1149.685839

ΔHf, kcal/mol:

-84.35

Dipole, Da:

11.27

IP(EA), eV:

 -8.44(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxy-2-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]butanoyl]amino]acetyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CN1CC=NC1C2=C(C=CC(=C2)SC3=NC(=O)C(N=N3)C(=O)O)OC4=C(C(=NC=C4F)OC5=CC(=C(N)N)C=CC5=O)F

DOS

IR

Vibrations