Geometry & MOs

Info

ID:

111107

PubChem CID:

50352297

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

724.394833

ΔHf, kcal/mol:

-258.41

Dipole, Da:

5.35

IP(EA), eV:

 -8.79(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)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=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC)C(=O)NCC(C)C

DOS

IR

Vibrations