Geometry & MOs

Info

ID:

110863

PubChem CID:

50342237

Reduced:

FO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-282.37

Dipole, Da:

5.66

IP(EA), eV:

 -8.78(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)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=C(C=CC(=C3)NC(=O)C4CCCCC4)F)C(=O)NCC(C)C

DOS

IR

Vibrations