Geometry & MOs

Info

ID:

117456

PubChem CID:

50603605

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-267.97

Dipole, Da:

12.72

IP(EA), eV:

 -9.06(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-chloro-2-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)Cl

DOS

IR

Vibrations