Geometry & MOs

Info

ID:

119500

PubChem CID:

50687912

Reduced:

Cl2O4N5C32H41 (1)

Stoich.:

A2B4C5D32E41 (1)

Weight, g/mol:

756.340211

ΔHf, kcal/mol:

-184.51

Dipole, Da:

7.33

IP(EA), eV:

 -8.91(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations