Geometry & MOs

Info

ID:

112406

PubChem CID:

50405936

Reduced:

N3O3C18H22 (2)

Stoich.:

A3B3C18D22 (2)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-213.87

Dipole, Da:

3.79

IP(EA), eV:

 -8.64(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC)C

DOS

IR

Vibrations