Geometry & MOs

Info

ID:

97287

PubChem CID:

50029654

Reduced:

FN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

732.34469

ΔHf, kcal/mol:

-283.02

Dipole, Da:

7.51

IP(EA), eV:

 -8.97(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)OC

DOS

IR

Vibrations