Geometry & MOs

Info

ID:

113602

PubChem CID:

50452105

Reduced:

ClF2O5N6C40H45 (1)

Stoich.:

AB2C5D6E40F45 (1)

Weight, g/mol:

770.279503

ΔHf, kcal/mol:

-274.16

Dipole, Da:

8.69

IP(EA), eV:

 -8.96(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC=C6F)F)Cl

DOS

IR

Vibrations