Geometry & MOs

Info

ID:

118423

PubChem CID:

50642762

Reduced:

ClFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-178.19

Dipole, Da:

6.72

IP(EA), eV:

 -8.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-5-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations