Geometry & MOs

Info

ID:

108770

PubChem CID:

50257972

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-222.01

Dipole, Da:

8.4

IP(EA), eV:

 -9.05(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations