Geometry & MOs

Info

ID:

105115

PubChem CID:

50106402

Reduced:

O5N6C27H34 (1)

Stoich.:

A5B6C27D34 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-191.42

Dipole, Da:

3.31

IP(EA), eV:

 -9.04(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[3-(dimethylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations