Geometry & MOs

Info

ID:

106020

PubChem CID:

50146488

Reduced:

ClF3O4N5C31H37 (1)

Stoich.:

AB3C4D5E31F37 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-326.04

Dipole, Da:

5.26

IP(EA), eV:

 -8.92(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C

DOS

IR

Vibrations