Geometry & MOs

Info

ID:

100143

PubChem CID:

50058736

Reduced:

F4O5N6C41H42 (1)

Stoich.:

A4B5C6D41E42 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-330.25

Dipole, Da:

4.65

IP(EA), eV:

 -9.14(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations