Geometry & MOs

Info

ID:

106120

PubChem CID:

50149955

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

587.271939

ΔHf, kcal/mol:

-196.15

Dipole, Da:

9.43

IP(EA), eV:

 -8.75(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations