Geometry & MOs

Info

ID:

92381

PubChem CID:

49985459

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

667.27332

ΔHf, kcal/mol:

-223.13

Dipole, Da:

2.95

IP(EA), eV:

 -8.72(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations