Geometry & MOs

Info

ID:

97555

PubChem CID:

50032593

Reduced:

ClFO5N6C43H46 (1)

Stoich.:

ABC5D6E43F46 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-209.4

Dipole, Da:

7.24

IP(EA), eV:

 -8.37(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC(=CC=C6)Cl)C

DOS

IR

Vibrations