Geometry & MOs

Info

ID:

106021

PubChem CID:

50146688

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-226.29

Dipole, Da:

7.64

IP(EA), eV:

 -8.83(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations