Geometry & MOs

Info

ID:

92104

PubChem CID:

49982966

Reduced:

BrO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-196.11

Dipole, Da:

6.03

IP(EA), eV:

 -8.82(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations