Geometry & MOs

Info

ID:

107371

PubChem CID:

50200484

Reduced:

ClO5N6C37H53 (1)

Stoich.:

AB5C6D37E53 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-246.94

Dipole, Da:

8.5

IP(EA), eV:

 -9.08(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2-fluorophenyl)carbamoyl]-6-methylphenyl]-1-[1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)N(CC)CC)Cl)C

DOS

IR

Vibrations