Geometry & MOs

Info

ID:

109852

PubChem CID:

50299826

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

724.258767

ΔHf, kcal/mol:

-266.69

Dipole, Da:

13.14

IP(EA), eV:

 -8.68(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)F)C

DOS

IR

Vibrations