Geometry & MOs

Info

ID:

96889

PubChem CID:

50025574

Reduced:

FO4N5C38H46 (1)

Stoich.:

AB4C5D38E46 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-195.86

Dipole, Da:

9.96

IP(EA), eV:

 -9.05(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(diethylcarbamoyl)-2-methylphenyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations