Geometry & MOs

Info

ID:

100346

PubChem CID:

50060382

Reduced:

ClO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-140.63

Dipole, Da:

11.2

IP(EA), eV:

 -8.59(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations