Geometry & MOs

Info

ID:

92128

PubChem CID:

49983208

Reduced:

O5N6C35H46 (1)

Stoich.:

A5B6C35D46 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-200.22

Dipole, Da:

8.23

IP(EA), eV:

 -9.04(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N5CCCC5

DOS

IR

Vibrations