Geometry & MOs

Info

ID:

96529

PubChem CID:

50021929

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-233.27

Dipole, Da:

11.38

IP(EA), eV:

 -8.55(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)C

DOS

IR

Vibrations