Geometry & MOs

Info

ID:

116098

PubChem CID:

50546701

Reduced:

ClFO5N6C34H36 (1)

Stoich.:

ABC5D6E34F36 (1)

Weight, g/mol:

724.371511

ΔHf, kcal/mol:

-205.93

Dipole, Da:

3.99

IP(EA), eV:

 -8.87(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)F)Cl

DOS

IR

Vibrations