Geometry & MOs

Info

ID:

91174

PubChem CID:

49973843

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

728.308911

ΔHf, kcal/mol:

-240.36

Dipole, Da:

2.85

IP(EA), eV:

 -8.99(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)Cl

DOS

IR

Vibrations