Geometry & MOs

Info

ID:

90578

PubChem CID:

49970475

Reduced:

FO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-230.39

Dipole, Da:

6.95

IP(EA), eV:

 -8.69(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylphenyl]-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)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=C(C=C6)C)F

DOS

IR

Vibrations