Geometry & MOs

Info

ID:

100593

PubChem CID:

50063067

Reduced:

ClF4O4N5H30C31 (1)

Stoich.:

AB4C4D5E30F31 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-329.26

Dipole, Da:

4.68

IP(EA), eV:

 -8.95(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations