Geometry & MOs

Info

ID:

117898

PubChem CID:

50619929

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

750.293261

ΔHf, kcal/mol:

-187.0

Dipole, Da:

6.64

IP(EA), eV:

 -8.81(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations