Geometry & MOs

Info

ID:

98076

PubChem CID:

50039092

Reduced:

F2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-208.04

Dipole, Da:

2.81

IP(EA), eV:

 -9.16(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC

DOS

IR

Vibrations