Geometry & MOs

Info

ID:

111772

PubChem CID:

50380845

Reduced:

N5O6C31H41 (1)

Stoich.:

A5B6C31D41 (1)

Weight, g/mol:

716.426134

ΔHf, kcal/mol:

-226.56

Dipole, Da:

2.74

IP(EA), eV:

 -8.91(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NCC3=CC=C(C=C3)OC)C(=O)N4CCOCC4

DOS

IR

Vibrations