Geometry & MOs

Info

ID:

96520

PubChem CID:

50021866

Reduced:

FN6O6C42H53 (1)

Stoich.:

AB6C6D42E53 (1)

Weight, g/mol:

742.385412

ΔHf, kcal/mol:

-278.05

Dipole, Da:

9.15

IP(EA), eV:

 -8.89(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations