Geometry & MOs

Info

ID:

92009

PubChem CID:

49981577

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-240.48

Dipole, Da:

10.56

IP(EA), eV:

 -8.82(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations