Geometry & MOs

Info

ID:

108025

PubChem CID:

50227423

Reduced:

BrClFO3N4C29H29 (1)

Stoich.:

ABCD3E4F29G29 (1)

Weight, g/mol:

553.306433

ΔHf, kcal/mol:

-119.0

Dipole, Da:

4.87

IP(EA), eV:

 -9.03(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations