Geometry & MOs

Info

ID:

118408

PubChem CID:

50642196

Reduced:

ClFO5N6C37H40 (1)

Stoich.:

ABC5D6E37F40 (1)

Weight, g/mol:

708.259374

ΔHf, kcal/mol:

-205.98

Dipole, Da:

3.71

IP(EA), eV:

 -8.84(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations