Geometry & MOs

Info

ID:

112480

PubChem CID:

50409141

Reduced:

ClN5O5C29H38 (1)

Stoich.:

AB5C5D29E38 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-204.73

Dipole, Da:

2.49

IP(EA), eV:

 -8.59(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)OC)C(=O)NC

DOS

IR

Vibrations