Geometry & MOs

Info

ID:

427070

PubChem CID:

135155322

Reduced:

BrSF2N3O4C31H34 (1)

Stoich.:

ABC2D3E4F31G34 (1)

Weight, g/mol:

486.237939

ΔHf, kcal/mol:

-208.45

Dipole, Da:

6.96

IP(EA), eV:

 -9.19(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[2-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]anilino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC(C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)Br)(F)F

DOS

IR

Vibrations