Geometry & MOs

Info

ID:

118203

PubChem CID:

50633322

Reduced:

ClFN6O6C35H40 (1)

Stoich.:

ABC6D6E35F40 (1)

Weight, g/mol:

692.308911

ΔHf, kcal/mol:

-254.61

Dipole, Da:

8.63

IP(EA), eV:

 -8.9(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations