Geometry & MOs

Info

ID:

425736

PubChem CID:

135127695

Reduced:

F2O3N4C23H28 (1)

Stoich.:

A2B3C4D23E28 (1)

Weight, g/mol:

484.203445

ΔHf, kcal/mol:

-125.89

Dipole, Da:

3.16

IP(EA), eV:

 -8.22(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-[4-[(Z)-2-amino-3-[amino-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]prop-2-enoxy]phenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC/C(=C/N(CC(CN(C)C=C)(C2=C(C=C(C=C2)F)F)O)N)/N

DOS

IR

Vibrations