Geometry & MOs

Info

ID:

108319

PubChem CID:

50241012

Reduced:

F2N5O5C34H39 (1)

Stoich.:

A2B5C5D34E39 (1)

Weight, g/mol:

673.203416

ΔHf, kcal/mol:

-253.47

Dipole, Da:

13.23

IP(EA), eV:

 -8.73(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations