Geometry & MOs

Info

ID:

111576

PubChem CID:

50373380

Reduced:

ClN6O6C38H49 (1)

Stoich.:

AB6C6D38E49 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-254.1

Dipole, Da:

5.42

IP(EA), eV:

 -9.06(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCCC5)C(=O)N6CCOCC6

DOS

IR

Vibrations