Geometry & MOs

Info

ID:

90669

PubChem CID:

49971217

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-176.51

Dipole, Da:

3.99

IP(EA), eV:

 -9.02(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations