Geometry & MOs

Info

ID:

106524

PubChem CID:

50166512

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-231.3

Dipole, Da:

10.07

IP(EA), eV:

 -8.71(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations