Geometry & MOs

Info

ID:

97638

PubChem CID:

50033273

Reduced:

FSO4N5C36H44 (1)

Stoich.:

ABC4D5E36F44 (1)

Weight, g/mol:

649.283111

ΔHf, kcal/mol:

-183.5

Dipole, Da:

1.5

IP(EA), eV:

 -8.31(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chloroanilino)-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=CC(=CC=C4)SC

DOS

IR

Vibrations