Geometry & MOs

Info

ID:

116684

PubChem CID:

50571801

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

623.323833

ΔHf, kcal/mol:

-232.42

Dipole, Da:

6.23

IP(EA), eV:

 -8.31(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4)C

DOS

IR

Vibrations