Geometry & MOs

Info

ID:

110770

PubChem CID:

50339393

Reduced:

ClN6O6C35H45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-245.03

Dipole, Da:

6.47

IP(EA), eV:

 -9.28(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-methyl-3-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)N4CCOCC4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations