Geometry & MOs

Info

ID:

90698

PubChem CID:

49971533

Reduced:

F2O4N5C36H41 (1)

Stoich.:

A2B4C5D36E41 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-226.41

Dipole, Da:

6.21

IP(EA), eV:

 -8.93(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorobenzoyl)amino]-3-methylphenyl]-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)NC4=CC=CC=C4C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations