Geometry & MOs

Info

ID:

93887

PubChem CID:

49997513

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-162.53

Dipole, Da:

8.26

IP(EA), eV:

 -8.9(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)NC

DOS

IR

Vibrations