Geometry & MOs

Info

ID:

110847

PubChem CID:

50341407

Reduced:

FO5N6C40H55 (1)

Stoich.:

AB5C6D40E55 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-284.61

Dipole, Da:

10.57

IP(EA), eV:

 -8.56(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F)C(=O)N5CCCCC5

DOS

IR

Vibrations