Geometry & MOs

Info

ID:

96894

PubChem CID:

50025597

Reduced:

FN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

595.240639

ΔHf, kcal/mol:

-204.72

Dipole, Da:

7.08

IP(EA), eV:

 -9.0(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations