Geometry & MOs

Info

ID:

113481

PubChem CID:

50447544

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

772.351525

ΔHf, kcal/mol:

-201.83

Dipole, Da:

5.86

IP(EA), eV:

 -8.71(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)C)Cl

DOS

IR

Vibrations