Geometry & MOs

Info

ID:

427395

PubChem CID:

135158220

Reduced:

SN4O4C19H28 (1)

Stoich.:

AB4C4D19E28 (1)

Weight, g/mol:

708.348277

ΔHf, kcal/mol:

-99.27

Dipole, Da:

10.98

IP(EA), eV:

-8.61(-0.94)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(E)-2-cyano-3-(6-piperidin-1-ylnaphthalen-2-yl)-N-[2-[2-[2-[[1-[[(2S,4R,5S,6R,7S)-4,5,6-trihydroxy-7-methoxyoxepan-2-yl]methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOCCNS(=O)(=O)/C(=C/C1=CC=C(C=C1)NCCN2CCOCC2)/C#N

DOS

IR

Vibrations