Geometry & MOs

Info

ID:

111562

PubChem CID:

50372633

Reduced:

N5O5C29H37 (1)

Stoich.:

A5B5C29D37 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-193.19

Dipole, Da:

6.58

IP(EA), eV:

 -8.78(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4

DOS

IR

Vibrations