Geometry & MOs

Info

ID:

120039

PubChem CID:

50712057

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

734.299489

ΔHf, kcal/mol:

-262.23

Dipole, Da:

7.2

IP(EA), eV:

 -8.94(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(4-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)F)F

DOS

IR

Vibrations