Geometry & MOs

Info

ID:

114968

PubChem CID:

50503991

Reduced:

Cl2O4N5C29H37 (1)

Stoich.:

A2B4C5D29E37 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-186.21

Dipole, Da:

2.59

IP(EA), eV:

 -9.01(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-4-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations