Geometry & MOs

Info

ID:

111120

PubChem CID:

50352825

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-194.74

Dipole, Da:

7.65

IP(EA), eV:

 -8.82(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations