Geometry & MOs

Info

ID:

112224

PubChem CID:

50399116

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

611.21072

ΔHf, kcal/mol:

-220.68

Dipole, Da:

1.66

IP(EA), eV:

 -8.76(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-bromoanilino)-3-oxopropyl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations