Geometry & MOs

Info

ID:

97979

PubChem CID:

50037516

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

653.258039

ΔHf, kcal/mol:

-269.14

Dipole, Da:

10.21

IP(EA), eV:

 -9.03(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(diethylcarbamoyl)phenyl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations