Geometry & MOs

Info

ID:

111543

PubChem CID:

50371819

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-224.66

Dipole, Da:

7.12

IP(EA), eV:

 -8.74(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-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)NC(=O)C)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations