Geometry & MOs

Info

ID:

116078

PubChem CID:

50545962

Reduced:

ClFO5N6C36H46 (1)

Stoich.:

ABC5D6E36F46 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-262.84

Dipole, Da:

6.16

IP(EA), eV:

 -8.65(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-(cyclohexylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5)F

DOS

IR

Vibrations