Geometry & MOs

Info

ID:

90514

PubChem CID:

49970093

Reduced:

ClO5N6C39H51 (1)

Stoich.:

AB5C6D39E51 (1)

Weight, g/mol:

732.376597

ΔHf, kcal/mol:

-217.6

Dipole, Da:

7.57

IP(EA), eV:

 -8.67(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6CCCC6

DOS

IR

Vibrations