Geometry & MOs

Info

ID:

109057

PubChem CID:

50271000

Reduced:

FN2O2C14H15 (3)

Stoich.:

AB2C2D14E15 (3)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-327.15

Dipole, Da:

10.25

IP(EA), eV:

 -8.68(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations