Geometry & MOs

Info

ID:

112971

PubChem CID:

50427811

Reduced:

FN6O6C42H45 (1)

Stoich.:

AB6C6D42E45 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-222.62

Dipole, Da:

6.83

IP(EA), eV:

 -8.24(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-(2-methylpropanoylamino)phenyl]-1-[1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations