Geometry & MOs

Info

ID:

90304

PubChem CID:

49968553

Reduced:

FO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-255.26

Dipole, Da:

10.87

IP(EA), eV:

 -8.7(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-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)C)C(=O)NC4=C(C=CC=C4C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations