Geometry & MOs

Info

ID:

427041

PubChem CID:

135155178

Reduced:

ClS2N3F5O6C33H37 (1)

Stoich.:

AB2C3D5E6F33G37 (1)

Weight, g/mol:

486.237939

ΔHf, kcal/mol:

-467.23

Dipole, Da:

7.22

IP(EA), eV:

 -9.42(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(1S)-1-[[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(CC1)OCC2=CC=C(S2)S(=O)(=O)NC(C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations