Geometry & MOs

Info

ID:

90240

PubChem CID:

49967870

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-250.06

Dipole, Da:

7.44

IP(EA), eV:

 -9.11(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations