Geometry & MOs

Info

ID:

433387

PubChem CID:

135173524

Reduced:

BrSF2O2N4C18H19 (1)

Stoich.:

ABC2D2E4F18G19 (1)

Weight, g/mol:

722.296516

ΔHf, kcal/mol:

-96.41

Dipole, Da:

4.61

IP(EA), eV:

 -9.15(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dioxopiperidin-3-yl)-N-formyl-4-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CN(C)CCS(=O)(=O)NC1=C(C(=C(C=C1)F)CC2=CNC3=C2C=C(C=N3)Br)F

DOS

IR

Vibrations