Geometry & MOs

Info

ID:

164463

PubChem CID:

74403132

Reduced:

S2O5C26H26 (1)

Stoich.:

A2B5C26D26 (1)

Weight, g/mol:

790.273809

ΔHf, kcal/mol:

-133.49

Dipole, Da:

4.68

IP(EA), eV:

 -9.29(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[15-amino-23-(2-amino-2-oxoethyl)-20-carbamoyl-28-hydroxy-6-(2-methylpropyl)-2,5,8,11,14,22,25-heptaoxo-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-12-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC(=O)C(CC1C2=CC=CC=C2)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations