Geometry & MOs

Info

ID:

102388

PubChem CID:

50066905

Reduced:

F3O3N4C30H31 (1)

Stoich.:

A3B3C4D30E31 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-220.45

Dipole, Da:

8.12

IP(EA), eV:

 -9.03(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-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)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)F)C

DOS

IR

Vibrations