Geometry & MOs

Info

ID:

118563

PubChem CID:

50647191

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-207.82

Dipole, Da:

9.78

IP(EA), eV:

 -8.91(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations