Geometry & MOs

Info

ID:

109880

PubChem CID:

50300641

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

541.245582

ΔHf, kcal/mol:

-220.86

Dipole, Da:

2.69

IP(EA), eV:

 -8.14(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-chloroanilino)-3-oxopropyl]-1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)NC(=O)C4CCCCC4

DOS

IR

Vibrations