Geometry & MOs

Info

ID:

116517

PubChem CID:

50563869

Reduced:

ClFO5N6C31H32 (1)

Stoich.:

ABC5D6E31F32 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-202.75

Dipole, Da:

2.25

IP(EA), eV:

 -8.52(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations