Geometry & MOs

Info

ID:

103823

PubChem CID:

50077346

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-238.1

Dipole, Da:

5.7

IP(EA), eV:

 -8.9(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-3-methyl-1-oxobutan-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)C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations