Geometry & MOs

Info

ID:

119645

PubChem CID:

50695212

Reduced:

ClN6O6C39H49 (1)

Stoich.:

AB6C6D39E49 (1)

Weight, g/mol:

756.263852

ΔHf, kcal/mol:

-242.04

Dipole, Da:

4.64

IP(EA), eV:

 -8.62(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2,6-difluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)Cl

DOS

IR

Vibrations