Geometry & MOs

Info

ID:

106559

PubChem CID:

50168464

Reduced:

SO4N7C33H49 (1)

Stoich.:

AB4C7D33E49 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-167.1

Dipole, Da:

7.98

IP(EA), eV:

 -8.77(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C(C)C)C

DOS

IR

Vibrations