Geometry & MOs

Info

ID:

104682

PubChem CID:

50104878

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-185.86

Dipole, Da:

10.74

IP(EA), eV:

 -8.81(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC(C)C)C

DOS

IR

Vibrations