Geometry & MOs

Info

ID:

109724

PubChem CID:

50295456

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-226.16

Dipole, Da:

4.17

IP(EA), eV:

 -8.49(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(3-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)NC(C)C

DOS

IR

Vibrations