Geometry & MOs

Info

ID:

92405

PubChem CID:

49985745

Reduced:

BrFO4N5C31H39 (1)

Stoich.:

ABC4D5E31F39 (1)

Weight, g/mol:

567.261232

ΔHf, kcal/mol:

-205.57

Dipole, Da:

3.48

IP(EA), eV:

 -9.21(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations