Geometry & MOs

Info

ID:

112364

PubChem CID:

50404321

Reduced:

ClF2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-230.91

Dipole, Da:

7.09

IP(EA), eV:

 -8.88(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[3-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations