Geometry & MOs

Info

ID:

297857

PubChem CID:

117634079

Reduced:

N5O5C18H23 (1)

Stoich.:

A5B5C18D23 (1)

Weight, g/mol:

693.20731

ΔHf, kcal/mol:

-70.73

Dipole, Da:

1.24

IP(EA), eV:

 -8.81(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-butoxy-N-[2-[2-[[(R)-hydroxy-[2-oxo-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)-1H-pyridin-3-yl]methyl]amino]ethylamino]ethyl]-6-oxo-5-[(2R)-2-sulfanylpyrrolidine-1-carbonyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)C1=CC=CC(=C)N1O)CCNC(=O)C2=CC=CC(=O)N2O

DOS

IR

Vibrations