Geometry & MOs

Info

ID:

119455

PubChem CID:

50685663

Reduced:

ClN6O7C36H47 (1)

Stoich.:

AB6C7D36E47 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-283.38

Dipole, Da:

7.02

IP(EA), eV:

 -9.25(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations