Geometry & MOs

Info

ID:

100486

PubChem CID:

50061747

Reduced:

FSO4N7C30H36 (1)

Stoich.:

ABC4D7E30F36 (1)

Weight, g/mol:

615.285698

ΔHf, kcal/mol:

-148.65

Dipole, Da:

8.34

IP(EA), eV:

 -8.89(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetylanilino)-2-oxoethyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)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=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations