Geometry & MOs

Info

ID:

101324

PubChem CID:

50064586

Reduced:

FSO4N7C29H34 (1)

Stoich.:

ABC4D7E29F34 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-138.75

Dipole, Da:

15.11

IP(EA), eV:

 -8.66(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylanilino)-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations