Geometry & MOs

Info

ID:

336893

PubChem CID:

127255900

Reduced:

ClFN4O4H24C28 (1)

Stoich.:

ABC4D4E24F28 (1)

Weight, g/mol:

598.222763

ΔHf, kcal/mol:

-139.79

Dipole, Da:

5.84

IP(EA), eV:

 -9.67(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[3-[5-[(3-fluoropyridin-4-yl)carbamoyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=C(C=CC(=C3)C(=O)NC4=C(C=NC=C4)F)CN.Cl

DOS

IR

Vibrations