Geometry & MOs

Info

ID:

110757

PubChem CID:

50338994

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-225.42

Dipole, Da:

12.85

IP(EA), eV:

 -8.76(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-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)Cl)C(=O)NC4CCCCC4)C(=O)N5CCCC5

DOS

IR

Vibrations