Geometry & MOs

Info

ID:

115340

PubChem CID:

50519346

Reduced:

Cl2O4N5C27H33 (1)

Stoich.:

A2B4C5D27E33 (1)

Weight, g/mol:

567.261232

ΔHf, kcal/mol:

-169.84

Dipole, Da:

2.66

IP(EA), eV:

 -9.02(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC)Cl

DOS

IR

Vibrations