Geometry & MOs

Info

ID:

111082

PubChem CID:

50351444

Reduced:

N6O7C35H48 (1)

Stoich.:

A6B7C35D48 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-278.86

Dipole, Da:

7.36

IP(EA), eV:

 -8.8(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)OC)C

DOS

IR

Vibrations