Geometry & MOs

Info

ID:

109331

PubChem CID:

50280675

Reduced:

FN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

622.210674

ΔHf, kcal/mol:

-207.33

Dipole, Da:

9.83

IP(EA), eV:

 -8.64(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoyl-5-chloroanilino)-2-oxoethyl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations