Geometry & MOs

Info

ID:

97400

PubChem CID:

50031207

Reduced:

F2N4O4C31H34 (1)

Stoich.:

A2B4C4D31E34 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-200.12

Dipole, Da:

6.28

IP(EA), eV:

 -8.99(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations