Geometry & MOs

Info

ID:

106580

PubChem CID:

50169651

Reduced:

F3O4N5C34H42 (1)

Stoich.:

A3B4C5D34E42 (1)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-324.48

Dipole, Da:

12.26

IP(EA), eV:

 -8.84(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations