Geometry & MOs

Info

ID:

324405

PubChem CID:

126677602

Reduced:

N3O4C18H23 (1)

Stoich.:

A3B4C18D23 (1)

Weight, g/mol:

589.195014

ΔHf, kcal/mol:

-148.86

Dipole, Da:

12.08

IP(EA), eV:

 -8.83(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,5S,6R,9S,15E,20R)-6-butan-2-yl-20-(2-methylsulfanylethyl)-3,8,18,21-tetraoxo-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-en-5-yl] acetate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC[C@@H](C(=O)C)N

DOS

IR

Vibrations