Geometry & MOs

Info

ID:

91363

PubChem CID:

49975366

Reduced:

N6O7C36H42 (1)

Stoich.:

A6B7C36D42 (1)

Weight, g/mol:

676.282089

ΔHf, kcal/mol:

-227.18

Dipole, Da:

11.6

IP(EA), eV:

 -8.82(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations