Geometry & MOs

Info

ID:

114764

PubChem CID:

50496124

Reduced:

N5O5C37H45 (1)

Stoich.:

A5B5C37D45 (1)

Weight, g/mol:

689.239195

ΔHf, kcal/mol:

-173.63

Dipole, Da:

6.13

IP(EA), eV:

 -8.68(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5)C

DOS

IR

Vibrations