Geometry & MOs

Info

ID:

97289

PubChem CID:

50029736

Reduced:

F2O4N5C33H35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

712.282089

ΔHf, kcal/mol:

-208.32

Dipole, Da:

12.3

IP(EA), eV:

 -8.82(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methoxy-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)NC4=CC=CC(=C4)C(=O)N5CCCC5

DOS

IR

Vibrations