Geometry & MOs

Info

ID:

118245

PubChem CID:

50635743

Reduced:

BrClO4N5C29H37 (1)

Stoich.:

ABC4D5E29F37 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-174.76

Dipole, Da:

2.9

IP(EA), eV:

 -8.9(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)C)Br

DOS

IR

Vibrations