Geometry & MOs

Info

ID:

115140

PubChem CID:

50510994

Reduced:

ClO5N6C34H43 (1)

Stoich.:

AB5C6D34E43 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-199.98

Dipole, Da:

3.87

IP(EA), eV:

 -9.1(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N

DOS

IR

Vibrations