Geometry & MOs

Info

ID:

113918

PubChem CID:

50463769

Reduced:

FO4N5C38H40 (1)

Stoich.:

AB4C5D38E40 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-149.97

Dipole, Da:

6.24

IP(EA), eV:

 -8.47(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-methylanilino)-3-oxopropyl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations