Geometry & MOs

Info

ID:

106336

PubChem CID:

50158241

Reduced:

O4N5C28H35 (1)

Stoich.:

A4B5C28D35 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-141.6

Dipole, Da:

2.69

IP(EA), eV:

 -8.88(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC

DOS

IR

Vibrations