Geometry & MOs

Info

ID:

116145

PubChem CID:

50549434

Reduced:

ClO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-149.47

Dipole, Da:

5.58

IP(EA), eV:

 -8.64(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations