Geometry & MOs

Info

ID:

107375

PubChem CID:

50200656

Reduced:

O5N6C37H54 (1)

Stoich.:

A5B6C37D54 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-247.14

Dipole, Da:

4.72

IP(EA), eV:

 -9.1(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)C)C

DOS

IR

Vibrations