Geometry & MOs

Info

ID:

117277

PubChem CID:

50596986

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-244.63

Dipole, Da:

5.38

IP(EA), eV:

 -8.83(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations