Geometry & MOs

Info

ID:

185467

PubChem CID:

77302595

Reduced:

FO3N5C21H26 (1)

Stoich.:

AB3C5D21E26 (1)

Weight, g/mol:

766.321429

ΔHf, kcal/mol:

-59.54

Dipole, Da:

5.09

IP(EA), eV:

 -8.94(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[5-fluoro-4-[[6-(2-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC1=CC2=C(C=C1)OCCO2)C3=CC(=CC(=C3)C4NNNN4)F

DOS

IR

Vibrations