Geometry & MOs

Info

ID:

106565

PubChem CID:

50169082

Reduced:

N3O3C20H29 (2)

Stoich.:

A3B3C20D29 (2)

Weight, g/mol:

625.22637

ΔHf, kcal/mol:

-277.13

Dipole, Da:

10.91

IP(EA), eV:

 -8.7(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)OC)C

DOS

IR

Vibrations