Geometry & MOs

Info

ID:

107837

PubChem CID:

50220401

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-277.53

Dipole, Da:

4.74

IP(EA), eV:

 -8.5(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)Cl

DOS

IR

Vibrations