Geometry & MOs

Info

ID:

99112

PubChem CID:

50048431

Reduced:

F4O5N6H36C38 (1)

Stoich.:

A4B5C6D36E38 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-308.08

Dipole, Da:

5.55

IP(EA), eV:

 -9.1(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[4-(phenylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations