Geometry & MOs

Info

ID:

113009

PubChem CID:

50428944

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-169.79

Dipole, Da:

8.79

IP(EA), eV:

 -8.76(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(diethylcarbamoyl)phenyl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC)C

DOS

IR

Vibrations