Geometry & MOs

Info

ID:

116711

PubChem CID:

50572134

Reduced:

ClF2N6O6C38H41 (1)

Stoich.:

AB2C6D6E38F41 (1)

Weight, g/mol:

746.299489

ΔHf, kcal/mol:

-297.74

Dipole, Da:

6.65

IP(EA), eV:

 -8.96(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations