Geometry & MOs

Info

ID:

113011

PubChem CID:

50428946

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-195.93

Dipole, Da:

1.88

IP(EA), eV:

 -8.85(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,5-difluorophenyl)carbamoyl]phenyl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations