Geometry & MOs

Info

ID:

313497

PubChem CID:

126615106

Reduced:

N2O2C23H28 (1)

Stoich.:

A2B2C23D28 (1)

Weight, g/mol:

716.32821

ΔHf, kcal/mol:

-9.8

Dipole, Da:

2.57

IP(EA), eV:

 -8.04(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,6-dihydroxy-2-methyloxan-4-yl)-5-[4-[4-[(5Z)-3-(ethylcarbamoyl)-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-4-yl]phenoxy]piperidin-1-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C=C(C(N1O)(C)C)CNC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)O)C

DOS

IR

Vibrations