Geometry & MOs

Info

ID:

114234

PubChem CID:

50474792

Reduced:

F3O5N6C37H41 (1)

Stoich.:

A3B5C6D37E41 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-311.65

Dipole, Da:

6.65

IP(EA), eV:

 -8.84(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations