Geometry & MOs

Info

ID:

91002

PubChem CID:

49972800

Reduced:

F2O4N5C32H41 (1)

Stoich.:

A2B4C5D32E41 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-255.49

Dipole, Da:

7.84

IP(EA), eV:

 -8.76(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-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)NC(C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations