Geometry & MOs

Info

ID:

97606

PubChem CID:

50033008

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-281.71

Dipole, Da:

6.92

IP(EA), eV:

 -9.01(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]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)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)NCC(C)C

DOS

IR

Vibrations