Geometry & MOs

Info

ID:

109035

PubChem CID:

50270271

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-195.4

Dipole, Da:

7.39

IP(EA), eV:

 -8.86(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C)C)F

DOS

IR

Vibrations