Geometry & MOs

Info

ID:

444255

PubChem CID:

135261867

Reduced:

BrSN2O5C30H33 (1)

Stoich.:

ABC2D5E30F33 (1)

Weight, g/mol:

754.284588

ΔHf, kcal/mol:

-110.74

Dipole, Da:

7.03

IP(EA), eV:

 -8.57(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[[2-(2,4-difluorophenyl)-1-oxo-3H-isoindol-4-yl]oxy]ethyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC(CN1CCN(CC1)CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)Br)OC

DOS

IR

Vibrations