Geometry & MOs

Info

ID:

104430

PubChem CID:

50104264

Reduced:

FN6O6C32H35 (1)

Stoich.:

AB6C6D32E35 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-242.92

Dipole, Da:

7.94

IP(EA), eV:

 -8.67(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4OC)F

DOS

IR

Vibrations