Geometry & MOs

Info

ID:

102563

PubChem CID:

50068160

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-233.03

Dipole, Da:

4.27

IP(EA), eV:

 -9.05(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)C)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations