Geometry & MOs

Info

ID:

120553

PubChem CID:

50733413

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-213.47

Dipole, Da:

4.05

IP(EA), eV:

 -9.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations