Geometry & MOs

Info

ID:

109995

PubChem CID:

50304327

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-241.07

Dipole, Da:

4.94

IP(EA), eV:

 -8.79(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-carbamoyl-3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C)C)F

DOS

IR

Vibrations