Geometry & MOs

Info

ID:

116666

PubChem CID:

50570719

Reduced:

Cl2O5N6C41H48 (1)

Stoich.:

A2B5C6D41E48 (1)

Weight, g/mol:

736.258767

ΔHf, kcal/mol:

-205.6

Dipole, Da:

8.07

IP(EA), eV:

 -8.18(-0.65)

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-[(2,6-difluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5)NC(=O)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations