Geometry & MOs

Info

ID:

115977

PubChem CID:

50542098

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-229.24

Dipole, Da:

6.57

IP(EA), eV:

 -8.94(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-6-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F)C

DOS

IR

Vibrations