Geometry & MOs

Info

ID:

102673

PubChem CID:

50068857

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-200.17

Dipole, Da:

10.89

IP(EA), eV:

 -8.77(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations