Geometry & MOs

Info

ID:

101587

PubChem CID:

50064858

Reduced:

BrClFO4N5C31H32 (1)

Stoich.:

ABCD4E5F31G32 (1)

Weight, g/mol:

595.240639

ΔHf, kcal/mol:

-171.32

Dipole, Da:

4.25

IP(EA), eV:

 -9.13(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations