Geometry & MOs

Info

ID:

95776

PubChem CID:

50014177

Reduced:

BrO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-176.77

Dipole, Da:

6.19

IP(EA), eV:

 -8.91(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations