Geometry & MOs

Info

ID:

96997

PubChem CID:

50026804

Reduced:

ClFN6O6C40H48 (1)

Stoich.:

ABC6D6E40F48 (1)

Weight, g/mol:

760.351525

ΔHf, kcal/mol:

-278.04

Dipole, Da:

9.29

IP(EA), eV:

 -8.91(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations