Geometry & MOs

Info

ID:

107493

PubChem CID:

50205649

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-201.14

Dipole, Da:

6.41

IP(EA), eV:

 -8.87(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylcarbamoyl)-6-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NCC(C)C

DOS

IR

Vibrations