Geometry & MOs

Info

ID:

120586

PubChem CID:

50735905

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-220.09

Dipole, Da:

4.23

IP(EA), eV:

 -8.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(4-methylbenzoyl)amino]phenyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)C)F

DOS

IR

Vibrations