Geometry & MOs

Info

ID:

91478

PubChem CID:

49976201

Reduced:

N5O6C35H41 (1)

Stoich.:

A5B6C35D41 (1)

Weight, g/mol:

645.296262

ΔHf, kcal/mol:

-193.28

Dipole, Da:

9.24

IP(EA), eV:

 -8.56(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(4-methoxybenzoyl)amino]phenyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations