Geometry & MOs

Info

ID:

97256

PubChem CID:

50029202

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-245.46

Dipole, Da:

4.81

IP(EA), eV:

 -9.02(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N(C)C

DOS

IR

Vibrations