Geometry & MOs

Info

ID:

102441

PubChem CID:

50067337

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-221.32

Dipole, Da:

8.0

IP(EA), eV:

 -9.14(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations