Geometry & MOs

Info

ID:

90821

PubChem CID:

49972191

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

722.355861

ΔHf, kcal/mol:

-248.03

Dipole, Da:

11.67

IP(EA), eV:

 -8.92(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations