Geometry & MOs

Info

ID:

449631

PubChem CID:

135300170

Reduced:

ClOSN2C25H27 (1)

Stoich.:

ABCD2E25F27 (1)

Weight, g/mol:

453.173166

ΔHf, kcal/mol:

28.36

Dipole, Da:

1.28

IP(EA), eV:

 -8.47(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[4-[(Z)-2-chloro-1-[[(1S)-1-(2-fluorophenyl)ethyl]amino]prop-1-enyl]-5-(methylideneamino)pyridin-2-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=CSC=C1)N/C(=C(/C)\Cl)/C2=C(C=CC(=C2)C3=CC=C(C=C3)C(C)(C)O)N=C

DOS

IR

Vibrations