Geometry & MOs

Info

ID:

398874

PubChem CID:

135035956

Reduced:

S2O3N4H24C25 (1)

Stoich.:

A2B3C4D24E25 (1)

Weight, g/mol:

752.157918

ΔHf, kcal/mol:

27.6

Dipole, Da:

7.02

IP(EA), eV:

 -8.42(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,14R)-2-hydroxy-3-[(2S,3S,14R)-2-hydroxy-18-methyl-13,17-dioxo-14-propan-2-yl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-18-methyl-14-propan-2-yl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

Drug info:

PubChemData

Smile

CC(C)[C@@]12C(=O)N3C4[C@]([C@@H](C3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76

DOS

IR

Vibrations