Geometry & MOs

Info

ID:

376209

PubChem CID:

134222216

Reduced:

Cl2O2N4F5H23C27 (1)

Stoich.:

A2B2C4D5E23F27 (1)

Weight, g/mol:

514.199189

ΔHf, kcal/mol:

-299.05

Dipole, Da:

6.08

IP(EA), eV:

 -9.49(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(E)-3-[3-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-5-methylphenyl]but-1-enyl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]-3,3-difluoropropanamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=C(C=C2)/C=C/C(C3=CC(=C(C(=C3)Cl)N4C=CC(=NC4=O)N)Cl)C(F)(F)F)NC(=O)CC(F)F

DOS

IR

Vibrations